5-methyl-3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-nitroanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H12N4O6S/c1-8-12-14(27-13(8)16(23)24)17-7-19(15(12)22)6-11(21)18-9-3-2-4-10(5-9)20(25)26/h2-5,7H,6H2,1H3,(H,18,21)(H,23,24)