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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (7,176)
Imidazoles (5,827)
Pyrazoles (2,022)
Oxazoles (1,557)
Triazoles (660)
Oxadiazoles (456)
Isoxazoles (262)
Thiadiazoles (88)
Dithiazoles (4)

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196 – 210 of 16,834 results
196

ethyle2-mercapto-1H-imidazole-4-carboxylate, 97%, Thermo Scientific™

CAS: 64038-64-8 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00068042 InChI Key: PONOGPICUOALRU-UHFFFAOYSA-N Synonym: ethyl 2-mercapto-1h-imidazole-4-carboxylate,4-ethoxycarbonylimidazole-2-thiol,usaf el-63,imidazole-2-thiol, 5-ethoxycarbonyl,2-mercapto-5-carbethoxyimidazole,imidazole, 2-mercapto-5-carbethoxy,ethyl 2-sulfanyl-1h-imidazole-4-carboxylate,2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester,ethyl 2-mercaptoimidazole-4-carboxylate,maybridge1_005066 PubChem CID: 2736338 IUPAC Name: ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate SMILES: CCOC(=O)C1=CNC(=S)N1

PubChem CID 2736338
CAS 64038-64-8
Molecular Weight (g/mol) 172.202
MDL Number MFCD00068042
SMILES CCOC(=O)C1=CNC(=S)N1
Synonym ethyl 2-mercapto-1h-imidazole-4-carboxylate,4-ethoxycarbonylimidazole-2-thiol,usaf el-63,imidazole-2-thiol, 5-ethoxycarbonyl,2-mercapto-5-carbethoxyimidazole,imidazole, 2-mercapto-5-carbethoxy,ethyl 2-sulfanyl-1h-imidazole-4-carboxylate,2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester,ethyl 2-mercaptoimidazole-4-carboxylate,maybridge1_005066
IUPAC Name ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
InChI Key PONOGPICUOALRU-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
197

1-Methyl-1H-imidazole-4-carbonitrile, 97%, Thermo Scientific™

CAS: 66121-69-5 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06411537 InChI Key: LAKVILSENFFPRR-UHFFFAOYSA-N PubChem CID: 2795115 IUPAC Name: 1-methylimidazole-4-carbonitrile SMILES: CN1C=C(N=C1)C#N

PubChem CID 2795115
CAS 66121-69-5
Molecular Weight (g/mol) 107.116
MDL Number MFCD06411537
SMILES CN1C=C(N=C1)C#N
IUPAC Name 1-methylimidazole-4-carbonitrile
InChI Key LAKVILSENFFPRR-UHFFFAOYSA-N
Molecular Formula C5H5N3
198
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1,3-Diisopropylimidazolium chloride, 97+%

CAS: 139143-09-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.70 MDL Number: MFCD03840577 InChI Key: DOFXKPAOJLLPII-UHFFFAOYSA-M Synonym: 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride PubChem CID: 11229242 IUPAC Name: 1,3-di(propan-2-yl)imidazol-1-ium;chloride SMILES: [Cl-].CC(C)N1C=C[N+](=C1)C(C)C

PubChem CID 11229242
CAS 139143-09-2
Molecular Weight (g/mol) 188.70
MDL Number MFCD03840577
SMILES [Cl-].CC(C)N1C=C[N+](=C1)C(C)C
Synonym 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride
IUPAC Name 1,3-di(propan-2-yl)imidazol-1-ium;chloride
InChI Key DOFXKPAOJLLPII-UHFFFAOYSA-M
Molecular Formula C9H17ClN2
199
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Ethyl 2-aminothiazole-5-carboxylate, 97%

CAS: 32955-21-8 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00602139 InChI Key: VNZXERIGKZNEKB-UHFFFAOYSA-N Synonym: ethyl 2-aminothiazole-5-carboxylate,ethyl 2-amino-thiazole-5-carboxylate,2-amino-thiazole-5-carboxylic acid ethyl ester,ethyl2-aminothiazole-5-carboxylate,2-amino-thiazole-5-carboxylate ethyl ester,2-aminothiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-5-thiazolecarboxylic acid ethyl ester,ethyl-2-amino thiazole-5-carboxylate,zlchem 456 PubChem CID: 314628 IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=CN=C(S1)N

PubChem CID 314628
CAS 32955-21-8
Molecular Weight (g/mol) 172.202
MDL Number MFCD00602139
SMILES CCOC(=O)C1=CN=C(S1)N
Synonym ethyl 2-aminothiazole-5-carboxylate,ethyl 2-amino-thiazole-5-carboxylate,2-amino-thiazole-5-carboxylic acid ethyl ester,ethyl2-aminothiazole-5-carboxylate,2-amino-thiazole-5-carboxylate ethyl ester,2-aminothiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylic acid, 2-amino-, ethyl ester,2-amino-5-thiazolecarboxylic acid ethyl ester,ethyl-2-amino thiazole-5-carboxylate,zlchem 456
IUPAC Name ethyl 2-amino-1,3-thiazole-5-carboxylate
InChI Key VNZXERIGKZNEKB-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
200

2-(2-Methyl-1H-imidazol-1-yl)benzonitrile, 97%, Thermo Scientific™

CAS: 892502-27-1 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09065013 InChI Key: NCQQCFZREDABTC-UHFFFAOYSA-N Synonym: 2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl PubChem CID: 24229637 IUPAC Name: 2-(2-methylimidazol-1-yl)benzonitrile SMILES: CC1=NC=CN1C2=CC=CC=C2C#N

PubChem CID 24229637
CAS 892502-27-1
Molecular Weight (g/mol) 183.214
MDL Number MFCD09065013
SMILES CC1=NC=CN1C2=CC=CC=C2C#N
Synonym 2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl
IUPAC Name 2-(2-methylimidazol-1-yl)benzonitrile
InChI Key NCQQCFZREDABTC-UHFFFAOYSA-N
Molecular Formula C11H9N3
201
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4-Chloromethyl-2-methylthiazole hydrochloride, 98%, Thermo Scientific™

CAS: 77470-53-2 Molecular Formula: C5H7Cl2NS Molecular Weight (g/mol): 184.08 MDL Number: MFCD00067725 InChI Key: YGKDISJLDVGNOR-UHFFFAOYSA-N Synonym: 4-chloromethyl-2-methylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hydrochloride,4-chloromethyl-2-methylthiazole hcl,4-chloromethyl-2-methyl thiazole hydrochloride,2-methyl-4-chloromethyl thiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole, chloride,2-methyl-4-chloromethylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hcl PubChem CID: 2734203 IUPAC Name: 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride SMILES: Cl.CC1=NC(CCl)=CS1

PubChem CID 2734203
CAS 77470-53-2
Molecular Weight (g/mol) 184.08
MDL Number MFCD00067725
SMILES Cl.CC1=NC(CCl)=CS1
Synonym 4-chloromethyl-2-methylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hydrochloride,4-chloromethyl-2-methylthiazole hcl,4-chloromethyl-2-methyl thiazole hydrochloride,2-methyl-4-chloromethyl thiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole, chloride,2-methyl-4-chloromethylthiazole hydrochloride,4-chloromethyl-2-methyl-1,3-thiazole hcl
IUPAC Name 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride
InChI Key YGKDISJLDVGNOR-UHFFFAOYSA-N
Molecular Formula C5H7Cl2NS
202
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Acycloguanosine, 98%

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

PubChem CID 2022
CAS 59277-89-3
Molecular Weight (g/mol) 225.21
ChEBI CHEBI:2453
MDL Number MFCD00057880
SMILES NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
203

Thermo Scientific Chemicals Febuxostat, 98%

CAS: 144060-53-7 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00871598 InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O

CAS 144060-53-7
Molecular Weight (g/mol) 316.38
MDL Number MFCD00871598
SMILES CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O
IUPAC Name 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI Key BQSJTQLCZDPROO-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
204
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1-Ethyl-3-methylimidazolium bromide, 98+%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;bromide
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
205
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4-Methyl-5-nitroimidazole, 98%, Thermo Scientific™

CAS: 14003-66-8 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD01721395 InChI Key: WSYOWIMKNNMEMZ-UHFFFAOYSA-N Synonym: 4-methyl-5-nitroimidazole,5-methyl-4-nitroimidazole,4-methyl-5-nitro-1h-imidazole,1h-imidazole, 4-methyl-5-nitro,imidazole, 4-methyl-5-nitro,imidazole, 5-methyl-4-nitro,unii-5pul8bw840,imidazole, 4 or 5-methyl-5 or 4-nitro,4-methyl-5-nitro-3h-imidazole,1h-imidazole,4-methyl-5-nitro PubChem CID: 26385 IUPAC Name: 5-methyl-4-nitro-1H-imidazole SMILES: CC1=C(N=CN1)[N+]([O-])=O

PubChem CID 26385
CAS 14003-66-8
Molecular Weight (g/mol) 127.10
MDL Number MFCD01721395
SMILES CC1=C(N=CN1)[N+]([O-])=O
Synonym 4-methyl-5-nitroimidazole,5-methyl-4-nitroimidazole,4-methyl-5-nitro-1h-imidazole,1h-imidazole, 4-methyl-5-nitro,imidazole, 4-methyl-5-nitro,imidazole, 5-methyl-4-nitro,unii-5pul8bw840,imidazole, 4 or 5-methyl-5 or 4-nitro,4-methyl-5-nitro-3h-imidazole,1h-imidazole,4-methyl-5-nitro
IUPAC Name 5-methyl-4-nitro-1H-imidazole
InChI Key WSYOWIMKNNMEMZ-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
206
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4-Methyl-5-imidazolecarboxaldehyde, 99%

CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1

PubChem CID 2795887
CAS 68282-53-1
Molecular Weight (g/mol) 110.12
MDL Number MFCD00173728
SMILES CC1=C(C=O)N=CN1
Synonym 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs
IUPAC Name 5-methyl-1H-imidazole-4-carbaldehyde
InChI Key KMWCSNCNHSEXIF-UHFFFAOYSA-N
Molecular Formula C5H6N2O
207
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Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
208
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1,3-Dicyclohexylbenzimidazolium chloride, 95%

CAS: 1034449-15-4 Molecular Formula: C19H27ClN2 Molecular Weight (g/mol): 318.89 MDL Number: MFCD08705248 InChI Key: JACUDTKAZHCIPU-UHFFFAOYSA-M Synonym: 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride PubChem CID: 16218267 SMILES: [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12

PubChem CID 16218267
CAS 1034449-15-4
Molecular Weight (g/mol) 318.89
MDL Number MFCD08705248
SMILES [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12
Synonym 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride
InChI Key JACUDTKAZHCIPU-UHFFFAOYSA-M
Molecular Formula C19H27ClN2
209
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1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

PubChem CID 2734174
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
MDL Number MFCD03093295
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula C8H15F6N2P
210
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Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

PubChem CID 3454
CAS 82410-32-0
Molecular Weight (g/mol) 255.23
ChEBI CHEBI:465284
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Synonym ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
IUPAC Name 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4