Organoheterocyclic compounds
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O-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate, 97%
CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
| PubChem CID | 9857522 |
|---|---|
| CAS | 105832-38-0 |
| Molecular Weight (g/mol) | 301.05 |
| MDL Number | MFCD00077875 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C |
| Synonym | tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 |
| IUPAC Name | [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate |
| InChI Key | YEBLHMRPZHNTEK-UHFFFAOYSA-N |
| Molecular Formula | C9H16BF4N3O3 |
Methyl 2-bromo-3-furoate, 97%, Thermo Scientific™
CAS: 197846-06-3 Molecular Formula: C6H5BrO3 Molecular Weight (g/mol): 205.01 MDL Number: MFCD09879944 InChI Key: XXUUZVIMSVBWIQ-UHFFFAOYSA-N Synonym: methyl 2-bromo-3-furoate,3-furancarboxylic acid, 2-bromo-, methyl ester,2-bromofuran-3-carboxylic acid methyl ester,3-furancarboxylic acid,2-bromo-, methyl ester PubChem CID: 10845885 IUPAC Name: methyl 2-bromofuran-3-carboxylate SMILES: COC(=O)C1=C(Br)OC=C1
| PubChem CID | 10845885 |
|---|---|
| CAS | 197846-06-3 |
| Molecular Weight (g/mol) | 205.01 |
| MDL Number | MFCD09879944 |
| SMILES | COC(=O)C1=C(Br)OC=C1 |
| Synonym | methyl 2-bromo-3-furoate,3-furancarboxylic acid, 2-bromo-, methyl ester,2-bromofuran-3-carboxylic acid methyl ester,3-furancarboxylic acid,2-bromo-, methyl ester |
| IUPAC Name | methyl 2-bromofuran-3-carboxylate |
| InChI Key | XXUUZVIMSVBWIQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO3 |
1-Methyl-1H-imidazole-4-sulfonamide, 97%, Thermo Scientific™
CAS: 111124-90-4 Molecular Formula: C4H7N3O2S Molecular Weight (g/mol): 161.18 MDL Number: MFCD02091382 InChI Key: QBJSSOBNVYDCDQ-UHFFFAOYSA-N PubChem CID: 2736885 IUPAC Name: 1-methylimidazole-4-sulfonamide SMILES: CN1C=NC(=C1)S(N)(=O)=O
| PubChem CID | 2736885 |
|---|---|
| CAS | 111124-90-4 |
| Molecular Weight (g/mol) | 161.18 |
| MDL Number | MFCD02091382 |
| SMILES | CN1C=NC(=C1)S(N)(=O)=O |
| IUPAC Name | 1-methylimidazole-4-sulfonamide |
| InChI Key | QBJSSOBNVYDCDQ-UHFFFAOYSA-N |
| Molecular Formula | C4H7N3O2S |
3-Hydroxypyridine-2-carboxylic acid, 98%
CAS: 874-24-8 Molecular Formula: C6H4NO3 Molecular Weight (g/mol): 138.10 MDL Number: MFCD00006294 InChI Key: BRARRAHGNDUELT-UHFFFAOYSA-M Synonym: 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid PubChem CID: 13401 ChEBI: CHEBI:64342 IUPAC Name: 3-hydroxypyridine-2-carboxylic acid SMILES: OC1=CC=CN=C1C([O-])=O
| PubChem CID | 13401 |
|---|---|
| CAS | 874-24-8 |
| Molecular Weight (g/mol) | 138.10 |
| ChEBI | CHEBI:64342 |
| MDL Number | MFCD00006294 |
| SMILES | OC1=CC=CN=C1C([O-])=O |
| Synonym | 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid |
| IUPAC Name | 3-hydroxypyridine-2-carboxylic acid |
| InChI Key | BRARRAHGNDUELT-UHFFFAOYSA-M |
| Molecular Formula | C6H4NO3 |
2-Aminothiazole-4-carboxylic acid, 97%
CAS: 40283-41-8 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00859429 InChI Key: FCLDUALXSYSMFB-UHFFFAOYSA-N Synonym: 2-aminothiazole-4-carboxylic acid,2-amino-thiazole-4-carboxylic acid,2-amino-4-thiazolecarboxylic acid,2-aminothiazole-4-formic acid,4-thiazolecarboxylic acid, 2-amino,2-aminothiazole-4-carboxylicacid,pubchem8903,acmc-209jco,2-aminothiazole 4-carboxylic,2-amino-4-carboxythiazole PubChem CID: 1501882 IUPAC Name: 2-amino-1,3-thiazole-4-carboxylic acid SMILES: C1=C(N=C(S1)N)C(=O)O
| PubChem CID | 1501882 |
|---|---|
| CAS | 40283-41-8 |
| Molecular Weight (g/mol) | 144.15 |
| MDL Number | MFCD00859429 |
| SMILES | C1=C(N=C(S1)N)C(=O)O |
| Synonym | 2-aminothiazole-4-carboxylic acid,2-amino-thiazole-4-carboxylic acid,2-amino-4-thiazolecarboxylic acid,2-aminothiazole-4-formic acid,4-thiazolecarboxylic acid, 2-amino,2-aminothiazole-4-carboxylicacid,pubchem8903,acmc-209jco,2-aminothiazole 4-carboxylic,2-amino-4-carboxythiazole |
| IUPAC Name | 2-amino-1,3-thiazole-4-carboxylic acid |
| InChI Key | FCLDUALXSYSMFB-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2S |
5-Methoxy-2-methyl-3-indoleacetic acid, 98%
CAS: 2882-15-7 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD00005618 InChI Key: TXWGINUZLBAKDF-UHFFFAOYSA-N Synonym: 5-methoxy-2-methyl-3-indoleacetic acid,5 miaa,2-5-methoxy-2-methyl-1h-indol-3-yl acetic acid,5-methoxy-2-methyl-1h-indol-3-yl acetic acid,1h-indole-3-acetic acid, 5-methoxy-2-methyl,n-deschlorobenzoyl indomethacin,5-methoxy-2-methylindole-3-acetic acid,5-methoxy-methylindoleacetic acid,deschlorobenzoyl indomethacin,5-methoxy-2-methyl indole acetic acid PubChem CID: 76151 IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O
| PubChem CID | 76151 |
|---|---|
| CAS | 2882-15-7 |
| Molecular Weight (g/mol) | 219.24 |
| MDL Number | MFCD00005618 |
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O |
| Synonym | 5-methoxy-2-methyl-3-indoleacetic acid,5 miaa,2-5-methoxy-2-methyl-1h-indol-3-yl acetic acid,5-methoxy-2-methyl-1h-indol-3-yl acetic acid,1h-indole-3-acetic acid, 5-methoxy-2-methyl,n-deschlorobenzoyl indomethacin,5-methoxy-2-methylindole-3-acetic acid,5-methoxy-methylindoleacetic acid,deschlorobenzoyl indomethacin,5-methoxy-2-methyl indole acetic acid |
| IUPAC Name | 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid |
| InChI Key | TXWGINUZLBAKDF-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO3 |
5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde, 90%, Thermo Scientific™
CAS: 17257-10-2 Molecular Formula: C13H8OS Molecular Weight (g/mol): 212.266 MDL Number: MFCD00126374 InChI Key: YFMUACLZRVJOBK-UHFFFAOYSA-N Synonym: 5-2-phenyleth-1-ynyl thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carbaldehyde,5-2-phenylethynyl thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde,5-2-phenylethynyl,5-phenylethynyl-thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carboxylate PubChem CID: 2737140 IUPAC Name: 5-(2-phenylethynyl)thiophene-2-carbaldehyde SMILES: C1=CC=C(C=C1)C#CC2=CC=C(S2)C=O
| PubChem CID | 2737140 |
|---|---|
| CAS | 17257-10-2 |
| Molecular Weight (g/mol) | 212.266 |
| MDL Number | MFCD00126374 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(S2)C=O |
| Synonym | 5-2-phenyleth-1-ynyl thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carbaldehyde,5-2-phenylethynyl thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde,5-2-phenylethynyl,5-phenylethynyl-thiophene-2-carbaldehyde,5-phenylethynyl thiophene-2-carboxylate |
| IUPAC Name | 5-(2-phenylethynyl)thiophene-2-carbaldehyde |
| InChI Key | YFMUACLZRVJOBK-UHFFFAOYSA-N |
| Molecular Formula | C13H8OS |
Ketoconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 531.43 InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N IUPAC Name: 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one SMILES: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
| CAS | 65277-42-1 |
|---|---|
| Molecular Weight (g/mol) | 531.43 |
| SMILES | CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
| IUPAC Name | 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one |
| InChI Key | XMAYWYJOQHXEEK-ZEQKJWHPSA-N |
| Molecular Formula | C26H28Cl2N4O4 |
3-Fluoro-4-iodopyridine, 97%, Thermo Scientific Chemicals
CAS: 22282-75-3 Molecular Formula: C5H3FIN Molecular Weight (g/mol): 222.98 InChI Key: MSLUTDVOKZOXTA-UHFFFAOYSA-N Synonym: 3-fluoro-4-iodo-pyridine,4-iodo-3-fluoropyridine,pyridine, 3-fluoro-4-iodo,pubchem9249,acmc-1ccsk,pyridine,3-fluoro-4-iodo,3-fluoro-4-iodopyridine,3-fluoro-4-iodopyridine 1g PubChem CID: 10998636 IUPAC Name: 3-fluoro-4-iodopyridine SMILES: C1=CN=CC(=C1I)F
| PubChem CID | 10998636 |
|---|---|
| CAS | 22282-75-3 |
| Molecular Weight (g/mol) | 222.98 |
| SMILES | C1=CN=CC(=C1I)F |
| Synonym | 3-fluoro-4-iodo-pyridine,4-iodo-3-fluoropyridine,pyridine, 3-fluoro-4-iodo,pubchem9249,acmc-1ccsk,pyridine,3-fluoro-4-iodo,3-fluoro-4-iodopyridine,3-fluoro-4-iodopyridine 1g |
| IUPAC Name | 3-fluoro-4-iodopyridine |
| InChI Key | MSLUTDVOKZOXTA-UHFFFAOYSA-N |
| Molecular Formula | C5H3FIN |
2-Phenylimidazole, 98%
CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1
| PubChem CID | 69591 |
|---|---|
| CAS | 670-96-2 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00005186 |
| SMILES | N1C=CN=C1C1=CC=CC=C1 |
| Synonym | 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy |
| IUPAC Name | 2-phenyl-1H-imidazole |
| InChI Key | ZCUJYXPAKHMBAZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
Maleimide, 98+%
CAS: 541-59-3 Molecular Formula: C8H4AgKN2O4 Molecular Weight (g/mol): 339.10 MDL Number: MFCD00005494 InChI Key: KWLWLQRUFFGWNG-UHFFFAOYSA-L Synonym: maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one PubChem CID: 10935 ChEBI: CHEBI:16072 IUPAC Name: pyrrole-2,5-dione SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1
| PubChem CID | 10935 |
|---|---|
| CAS | 541-59-3 |
| Molecular Weight (g/mol) | 339.10 |
| ChEBI | CHEBI:16072 |
| MDL Number | MFCD00005494 |
| SMILES | [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1 |
| Synonym | maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one |
| IUPAC Name | pyrrole-2,5-dione |
| InChI Key | KWLWLQRUFFGWNG-UHFFFAOYSA-L |
| Molecular Formula | C8H4AgKN2O4 |
2,4,6-Trichloropyridine, 97%
CAS: 16063-69-7 Molecular Formula: C5H2Cl3N Molecular Weight (g/mol): 182.428 MDL Number: MFCD00971928 InChI Key: FJNNGKMAGDPVIU-UHFFFAOYSA-N Synonym: pyridine, 2,4,6-trichloro,2,4,6-trichloro-pyridine,pubchem11020,acmc-1bu24,ksc497g8t,2,4,6-tris chloranyl pyridine,2,4,6-trichloropyridine PubChem CID: 27665 IUPAC Name: 2,4,6-trichloropyridine SMILES: C1=C(C=C(N=C1Cl)Cl)Cl
| PubChem CID | 27665 |
|---|---|
| CAS | 16063-69-7 |
| Molecular Weight (g/mol) | 182.428 |
| MDL Number | MFCD00971928 |
| SMILES | C1=C(C=C(N=C1Cl)Cl)Cl |
| Synonym | pyridine, 2,4,6-trichloro,2,4,6-trichloro-pyridine,pubchem11020,acmc-1bu24,ksc497g8t,2,4,6-tris chloranyl pyridine,2,4,6-trichloropyridine |
| IUPAC Name | 2,4,6-trichloropyridine |
| InChI Key | FJNNGKMAGDPVIU-UHFFFAOYSA-N |
| Molecular Formula | C5H2Cl3N |
5-Cyclopropyl-1,2,4-oxadiazol-3-amine, 97%, Thermo Scientific™
CAS: 868696-42-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 InChI Key: OHSZRALIDGBNES-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazol-3-amine, 5-cyclopropyl PubChem CID: 51072255 IUPAC Name: 5-cyclopropyl-1,2,4-oxadiazol-3-amine SMILES: C1CC1C2=NC(=NO2)N
| PubChem CID | 51072255 |
|---|---|
| CAS | 868696-42-8 |
| Molecular Weight (g/mol) | 125.13 |
| SMILES | C1CC1C2=NC(=NO2)N |
| Synonym | 1,2,4-oxadiazol-3-amine, 5-cyclopropyl |
| IUPAC Name | 5-cyclopropyl-1,2,4-oxadiazol-3-amine |
| InChI Key | OHSZRALIDGBNES-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
Methyle5-(chlorosulfonyl)-4-methyl-2-thiophenecarboxylate, 97%, Thermo Scientific™
CAS: 423768-46-1 Molecular Formula: C7H7ClO4S2 Molecular Weight (g/mol): 254.699 MDL Number: MFCD03407367 InChI Key: YWBXGHFHMHUSKH-UHFFFAOYSA-N Synonym: methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate,methyl 5-chlorosulfonyl-4-methyl-2-thiophenecarboxylate,2-thiophenecarboxylicacid, 5-chlorosulfonyl-4-methyl-, methyl ester PubChem CID: 2779815 IUPAC Name: methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate SMILES: CC1=C(SC(=C1)C(=O)OC)S(=O)(=O)Cl
| PubChem CID | 2779815 |
|---|---|
| CAS | 423768-46-1 |
| Molecular Weight (g/mol) | 254.699 |
| MDL Number | MFCD03407367 |
| SMILES | CC1=C(SC(=C1)C(=O)OC)S(=O)(=O)Cl |
| Synonym | methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate,methyl 5-chlorosulfonyl-4-methyl-2-thiophenecarboxylate,2-thiophenecarboxylicacid, 5-chlorosulfonyl-4-methyl-, methyl ester |
| IUPAC Name | methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate |
| InChI Key | YWBXGHFHMHUSKH-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO4S2 |
5,6-Diphenyl-3-(2-pyridyl)-1,2 4-triazine, 99%
CAS: 1046-56-6 Molecular Formula: C20H14N4 Molecular Weight (g/mol): 310.36 MDL Number: MFCD00006462 InChI Key: OTMYLOBWDNFTLO-UHFFFAOYSA-N Synonym: 3-2-pyridyl-5,6-diphenyl-1,2,4-triazine,5,6-diphenyl-3-2-pyridyl-1,2,4-triazine,1,2,4-triazine, 5,6-diphenyl-3-2-pyridinyl,5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine,as-triazine, 5,6-diphenyl-3-2-pyridyl,5,6-diphenyl-3-2-pyridinyl-1,2,4-triazine,maybridge1_007490,bio7c7,acmc-1boy4,cbmicro_025706 PubChem CID: 70588 SMILES: C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=CC=C1)C1=CC=CC=N1
| PubChem CID | 70588 |
|---|---|
| CAS | 1046-56-6 |
| Molecular Weight (g/mol) | 310.36 |
| MDL Number | MFCD00006462 |
| SMILES | C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=CC=C1)C1=CC=CC=N1 |
| Synonym | 3-2-pyridyl-5,6-diphenyl-1,2,4-triazine,5,6-diphenyl-3-2-pyridyl-1,2,4-triazine,1,2,4-triazine, 5,6-diphenyl-3-2-pyridinyl,5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine,as-triazine, 5,6-diphenyl-3-2-pyridyl,5,6-diphenyl-3-2-pyridinyl-1,2,4-triazine,maybridge1_007490,bio7c7,acmc-1boy4,cbmicro_025706 |
| InChI Key | OTMYLOBWDNFTLO-UHFFFAOYSA-N |
| Molecular Formula | C20H14N4 |