Organoheterocyclic compounds
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4-(Methylamino)pyridine, 99%
CAS: 1121-58-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00152625 InChI Key: LSCYTCMNCWMCQE-UHFFFAOYSA-N Synonym: 4-methylamino pyridine,4-methylaminopyridine,n-methyl-4-pyridinamine,4-pyridinamine, n-methyl,pyridin-4-yl methyl amine,4-mamp,dmap on polystyrene,pubchem12915,pyridin-4yl-methylamine,pyridin-4-yl-methylamine PubChem CID: 123098 IUPAC Name: N-methylpyridin-4-amine SMILES: CNC1=CC=NC=C1
| PubChem CID | 123098 |
|---|---|
| CAS | 1121-58-0 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00152625 |
| SMILES | CNC1=CC=NC=C1 |
| Synonym | 4-methylamino pyridine,4-methylaminopyridine,n-methyl-4-pyridinamine,4-pyridinamine, n-methyl,pyridin-4-yl methyl amine,4-mamp,dmap on polystyrene,pubchem12915,pyridin-4yl-methylamine,pyridin-4-yl-methylamine |
| IUPAC Name | N-methylpyridin-4-amine |
| InChI Key | LSCYTCMNCWMCQE-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
3,5-Dichloropyridine-2-carboxamide, 97%, Thermo Scientific Chemicals
CAS: 5468-71-3 Molecular Formula: C6H4Cl2N2O Molecular Weight (g/mol): 191.011 MDL Number: MFCD20529142 InChI Key: QIRSAVRBVNYEMF-UHFFFAOYSA-N Synonym: 3,5-dichloropicolinamide,3,5-dichloropicolinic acid amide,3,5-dichloro-pyridine-2-carboxylic acid amide PubChem CID: 225522 IUPAC Name: 3,5-dichloropyridine-2-carboxamide SMILES: C1=C(C=NC(=C1Cl)C(=O)N)Cl
| PubChem CID | 225522 |
|---|---|
| CAS | 5468-71-3 |
| Molecular Weight (g/mol) | 191.011 |
| MDL Number | MFCD20529142 |
| SMILES | C1=C(C=NC(=C1Cl)C(=O)N)Cl |
| Synonym | 3,5-dichloropicolinamide,3,5-dichloropicolinic acid amide,3,5-dichloro-pyridine-2-carboxylic acid amide |
| IUPAC Name | 3,5-dichloropyridine-2-carboxamide |
| InChI Key | QIRSAVRBVNYEMF-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2N2O |
3-Amino-2-methoxypyridine-5-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 893440-50-1 Molecular Formula: C12H19BN2O3 Molecular Weight (g/mol): 250.11 MDL Number: MFCD12923427 InChI Key: KYYKGOURQXPERA-UHFFFAOYSA-N Synonym: 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-amine,3-amino-2-methoxypyridine-5-boronic acid pinacol ester,5-amino-6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridin-3-ylamine,2-methoxy-3-aminopyridine-5-boronic acid pinacol ester,5-amino-6-methoxypyridin-3-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-amine,5-amino-6-methoxypyridine-3-boronic acid pinacol ester?,3-amino-2-methoxypyridin-5-ylboronicacidpinacolester,5-amino-6-methoxypyridine-3-boronicacidpinacolester PubChem CID: 59557920 IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine SMILES: COC1=C(N)C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 59557920 |
|---|---|
| CAS | 893440-50-1 |
| Molecular Weight (g/mol) | 250.11 |
| MDL Number | MFCD12923427 |
| SMILES | COC1=C(N)C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-amine,3-amino-2-methoxypyridine-5-boronic acid pinacol ester,5-amino-6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridin-3-ylamine,2-methoxy-3-aminopyridine-5-boronic acid pinacol ester,5-amino-6-methoxypyridin-3-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-amine,5-amino-6-methoxypyridine-3-boronic acid pinacol ester?,3-amino-2-methoxypyridin-5-ylboronicacidpinacolester,5-amino-6-methoxypyridine-3-boronicacidpinacolester |
| IUPAC Name | 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine |
| InChI Key | KYYKGOURQXPERA-UHFFFAOYSA-N |
| Molecular Formula | C12H19BN2O3 |
Trithiocyanuric acid, 95%
CAS: 638-16-4 Molecular Formula: C3H3N3S3 Molecular Weight (g/mol): 177.258 MDL Number: MFCD00006052 InChI Key: WZRRRFSJFQTGGB-UHFFFAOYSA-N Synonym: trithiocyanuric acid,thiocyanuric acid,1,3,5-triazine-2,4,6-trithiol,trismercaptotriazine,trimercaptocyanuric acid,cyanuric acid, trithio,usaf th-3,1,3,5-triazine-2,4,6 1h,3h,5h-trithione,s-triazine-2,4,6-trithiol,2,4,6-triazinetrithiol PubChem CID: 1268121 IUPAC Name: 1,3,5-triazinane-2,4,6-trithione SMILES: C1(=S)NC(=S)NC(=S)N1
| PubChem CID | 1268121 |
|---|---|
| CAS | 638-16-4 |
| Molecular Weight (g/mol) | 177.258 |
| MDL Number | MFCD00006052 |
| SMILES | C1(=S)NC(=S)NC(=S)N1 |
| Synonym | trithiocyanuric acid,thiocyanuric acid,1,3,5-triazine-2,4,6-trithiol,trismercaptotriazine,trimercaptocyanuric acid,cyanuric acid, trithio,usaf th-3,1,3,5-triazine-2,4,6 1h,3h,5h-trithione,s-triazine-2,4,6-trithiol,2,4,6-triazinetrithiol |
| IUPAC Name | 1,3,5-triazinane-2,4,6-trithione |
| InChI Key | WZRRRFSJFQTGGB-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3S3 |
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 |
5-Aminoisoquinoline, 99%
CAS: 1125-60-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00006907 InChI Key: DTVYNUOOZIKEEX-UHFFFAOYSA-N Synonym: 5-aminoisoquinoline,5-isoquinolinamine,isoquinoline, 5-amino,isoquinol-5-ylamine,isoquinolin-5-ylamine,5-amino-isoquinoline,5-aminoisoquinolin,5-isoquinolylamine,5iq,5aminoisoquinoline PubChem CID: 70766 IUPAC Name: isoquinolin-5-amine SMILES: NC1=C2C=CN=CC2=CC=C1
| PubChem CID | 70766 |
|---|---|
| CAS | 1125-60-6 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00006907 |
| SMILES | NC1=C2C=CN=CC2=CC=C1 |
| Synonym | 5-aminoisoquinoline,5-isoquinolinamine,isoquinoline, 5-amino,isoquinol-5-ylamine,isoquinolin-5-ylamine,5-amino-isoquinoline,5-aminoisoquinolin,5-isoquinolylamine,5iq,5aminoisoquinoline |
| IUPAC Name | isoquinolin-5-amine |
| InChI Key | DTVYNUOOZIKEEX-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
(S)-(+)-3-Aminotetrahydrofuran hydrochloride, 95%
CAS: 204512-95-8 Molecular Formula: C4H10ClNO Molecular Weight (g/mol): 123.58 MDL Number: MFCD08445642 InChI Key: MHOVLDXJDIEEMJ-WCCKRBBISA-N Synonym: s-tetrahydrofuran-3-amine hydrochloride,s-3-aminotetrahydrofuran hydrochloride,3s-oxolan-3-amine hydrochloride,s-3-aminotetrahydrofuran hcl,s-tetrahydrofuran-3-amine hcl,s-tetrahydro-furan-3-ylamine hydrochloride,3-furanamine, tetrahydro-, hydrochloride, 3s,s-3-aminotetrahydrofuranhydrochloride,pubchem15126,ksc916a5t PubChem CID: 18664284 IUPAC Name: (3S)-oxolan-3-amine;hydrochloride SMILES: C1COCC1N.Cl
| PubChem CID | 18664284 |
|---|---|
| CAS | 204512-95-8 |
| Molecular Weight (g/mol) | 123.58 |
| MDL Number | MFCD08445642 |
| SMILES | C1COCC1N.Cl |
| Synonym | s-tetrahydrofuran-3-amine hydrochloride,s-3-aminotetrahydrofuran hydrochloride,3s-oxolan-3-amine hydrochloride,s-3-aminotetrahydrofuran hcl,s-tetrahydrofuran-3-amine hcl,s-tetrahydro-furan-3-ylamine hydrochloride,3-furanamine, tetrahydro-, hydrochloride, 3s,s-3-aminotetrahydrofuranhydrochloride,pubchem15126,ksc916a5t |
| IUPAC Name | (3S)-oxolan-3-amine;hydrochloride |
| InChI Key | MHOVLDXJDIEEMJ-WCCKRBBISA-N |
| Molecular Formula | C4H10ClNO |
4,5-Dicyano-2-phenylimidazole, 97%, Thermo Scientific Chemicals
CAS: 50847-06-8 Molecular Formula: C11H6N4 Molecular Weight (g/mol): 194.20 MDL Number: MFCD05863325 InChI Key: PGSHQANDAMACEF-UHFFFAOYSA-N Synonym: 2-phenyl-4,5-dicyanoimidazole,2-phenylimidazole-4,5-dicarbonitrile,phenylimidazoledicarbonitrile,2-phenyl-1h-imidazol-4,5-dikohlenitrile,1h-imidazole-4,5-dicarbonitrile,2-phenyl,1h-imidazole-4,5-dicarbonitrile, 2-phenyl PubChem CID: 820939 IUPAC Name: 2-phenyl-1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=C(N1)C1=CC=CC=C1)C#N
| PubChem CID | 820939 |
|---|---|
| CAS | 50847-06-8 |
| Molecular Weight (g/mol) | 194.20 |
| MDL Number | MFCD05863325 |
| SMILES | N#CC1=C(N=C(N1)C1=CC=CC=C1)C#N |
| Synonym | 2-phenyl-4,5-dicyanoimidazole,2-phenylimidazole-4,5-dicarbonitrile,phenylimidazoledicarbonitrile,2-phenyl-1h-imidazol-4,5-dikohlenitrile,1h-imidazole-4,5-dicarbonitrile,2-phenyl,1h-imidazole-4,5-dicarbonitrile, 2-phenyl |
| IUPAC Name | 2-phenyl-1H-imidazole-4,5-dicarbonitrile |
| InChI Key | PGSHQANDAMACEF-UHFFFAOYSA-N |
| Molecular Formula | C11H6N4 |
2-Chloro-5-nitro-4-picoline, 98%, Thermo Scientific™
CAS: 23056-33-9 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00010688 InChI Key: HWZUMEVIIGNXGM-UHFFFAOYSA-N Synonym: 2-chloro-5-nitro-4-picoline,2-chloro-4-methyl-5-nitro-pyridine,2-chloro-4-methyl-5-nitro pyridine,2-chloro-5-nitro-4-methylpyridine,pyridine, 2-chloro-4-methyl-5-nitro,pubchem6223,acmc-209g0j,ksc201s3j,tpc-py010 PubChem CID: 345364 IUPAC Name: 2-chloro-4-methyl-5-nitropyridine SMILES: CC1=CC(Cl)=NC=C1[N+]([O-])=O
| PubChem CID | 345364 |
|---|---|
| CAS | 23056-33-9 |
| Molecular Weight (g/mol) | 172.57 |
| MDL Number | MFCD00010688 |
| SMILES | CC1=CC(Cl)=NC=C1[N+]([O-])=O |
| Synonym | 2-chloro-5-nitro-4-picoline,2-chloro-4-methyl-5-nitro-pyridine,2-chloro-4-methyl-5-nitro pyridine,2-chloro-5-nitro-4-methylpyridine,pyridine, 2-chloro-4-methyl-5-nitro,pubchem6223,acmc-209g0j,ksc201s3j,tpc-py010 |
| IUPAC Name | 2-chloro-4-methyl-5-nitropyridine |
| InChI Key | HWZUMEVIIGNXGM-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
Ethyl 2-chloronicotinate, 98%
CAS: 1452-94-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD00674129 InChI Key: PMIMPBYTPPRBGD-UHFFFAOYSA-N Synonym: ethyl 2-chloronicotinate,2-chloronicotinic acid ethyl ester,ethyl-2-chloronicotinate,2-chloro-nicotinic acid ethyl ester,ethyl 2-chloro-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 2-chloro-, ethyl ester,2-chloro-3-pyridinecarboxylic acid ethyl ester,ethyl 2chloronicotinate,acmc-1brbe,ethyl 2-chloro-nicotinate PubChem CID: 2796614 IUPAC Name: ethyl 2-chloropyridine-3-carboxylate SMILES: CCOC(=O)C1=C(N=CC=C1)Cl
| PubChem CID | 2796614 |
|---|---|
| CAS | 1452-94-4 |
| Molecular Weight (g/mol) | 185.607 |
| MDL Number | MFCD00674129 |
| SMILES | CCOC(=O)C1=C(N=CC=C1)Cl |
| Synonym | ethyl 2-chloronicotinate,2-chloronicotinic acid ethyl ester,ethyl-2-chloronicotinate,2-chloro-nicotinic acid ethyl ester,ethyl 2-chloro-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 2-chloro-, ethyl ester,2-chloro-3-pyridinecarboxylic acid ethyl ester,ethyl 2chloronicotinate,acmc-1brbe,ethyl 2-chloro-nicotinate |
| IUPAC Name | ethyl 2-chloropyridine-3-carboxylate |
| InChI Key | PMIMPBYTPPRBGD-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
3,4-Dihydro-2H-isoquinolin-1-one, 98%
CAS: 1196-38-9 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 InChI Key: YWPMKTWUFVOFPL-UHFFFAOYSA-N Synonym: 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline PubChem CID: 150896 IUPAC Name: 3,4-dihydro-2H-isoquinolin-1-one SMILES: C1CNC(=O)C2=CC=CC=C21
| PubChem CID | 150896 |
|---|---|
| CAS | 1196-38-9 |
| Molecular Weight (g/mol) | 147.18 |
| SMILES | C1CNC(=O)C2=CC=CC=C21 |
| Synonym | 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 3,4-dihydro-2H-isoquinolin-1-one |
| InChI Key | YWPMKTWUFVOFPL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
2-Fluoroadenine, 97%
CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1
| PubChem CID | 12790 |
|---|---|
| CAS | 700-49-2 |
| Molecular Weight (g/mol) | 153.12 |
| ChEBI | CHEBI:72457 |
| MDL Number | MFCD01632749 |
| SMILES | NC1=C2NC=NC2=NC(F)=N1 |
| Synonym | 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro |
| IUPAC Name | 2-fluoro-7H-purin-6-amine |
| InChI Key | WKMPTBDYDNUJLF-UHFFFAOYSA-N |
| Molecular Formula | C5H4FN5 |
4-Phenylurazole, 98+%
CAS: 15988-11-1 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00005226 InChI Key: GOSUFRDROXZXLN-UHFFFAOYSA-N Synonym: 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n PubChem CID: 85229 IUPAC Name: 4-phenyl-1,2,4-triazolidine-3,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)NNC2=O
| PubChem CID | 85229 |
|---|---|
| CAS | 15988-11-1 |
| Molecular Weight (g/mol) | 177.163 |
| MDL Number | MFCD00005226 |
| SMILES | C1=CC=C(C=C1)N2C(=O)NNC2=O |
| Synonym | 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n |
| IUPAC Name | 4-phenyl-1,2,4-triazolidine-3,5-dione |
| InChI Key | GOSUFRDROXZXLN-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2 |
(S)-(+)-3-Aminopiperidine dihydrochloride, 98%, Thermo Scientific Chemicals
CAS: 334618-07-4 Molecular Formula: C5H14Cl2N2 Molecular Weight (g/mol): 173.08 MDL Number: MFCD03427036 InChI Key: GGPNYXIOFZLNKW-UHFFFAOYNA-N Synonym: s-3-aminopiperidine dihydrochloride,s-piperidin-3-amine dihydrochloride,s-+-3-aminopiperidine dihydrochloride,s-3-aminopiperidine 2hcl,3s-piperidin-3-amine dihydrochloride,s-+-3-aminopiperidine 2hcl,3-piperidinamine, dihydrochloride, 3s,3s-3-piperidinamine dihydrochloride,3s-3-aminopiperidine dihydrochloride,s-piperidin-3-ylamine dihydrochloride PubChem CID: 16218278 IUPAC Name: (3S)-piperidin-3-amine;dihydrochloride SMILES: Cl.Cl.NC1CCCNC1
| PubChem CID | 16218278 |
|---|---|
| CAS | 334618-07-4 |
| Molecular Weight (g/mol) | 173.08 |
| MDL Number | MFCD03427036 |
| SMILES | Cl.Cl.NC1CCCNC1 |
| Synonym | s-3-aminopiperidine dihydrochloride,s-piperidin-3-amine dihydrochloride,s-+-3-aminopiperidine dihydrochloride,s-3-aminopiperidine 2hcl,3s-piperidin-3-amine dihydrochloride,s-+-3-aminopiperidine 2hcl,3-piperidinamine, dihydrochloride, 3s,3s-3-piperidinamine dihydrochloride,3s-3-aminopiperidine dihydrochloride,s-piperidin-3-ylamine dihydrochloride |
| IUPAC Name | (3S)-piperidin-3-amine;dihydrochloride |
| InChI Key | GGPNYXIOFZLNKW-UHFFFAOYNA-N |
| Molecular Formula | C5H14Cl2N2 |
5-Nitro-1,10-phenanthroline, 98%
CAS: 4199-88-6 Molecular Formula: C12H7N3O2 Molecular Weight (g/mol): 225.207 MDL Number: MFCD00004981 InChI Key: PDDBTWXLNJNICS-UHFFFAOYSA-N PubChem CID: 72790 IUPAC Name: 5-nitro-1,10-phenanthroline SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
| PubChem CID | 72790 |
|---|---|
| CAS | 4199-88-6 |
| Molecular Weight (g/mol) | 225.207 |
| MDL Number | MFCD00004981 |
| SMILES | C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-] |
| IUPAC Name | 5-nitro-1,10-phenanthroline |
| InChI Key | PDDBTWXLNJNICS-UHFFFAOYSA-N |
| Molecular Formula | C12H7N3O2 |