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

Systemtic Name: 5-methyl-3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[2-(3-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(m-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

InChI

InChI=1S/C17H15N3O4S/c1-9-4-3-5-11(6-9)19-12(21)7-20-8-18-15-13(16(20)22)10(2)14(25-15)17(23)24/h3-6,8H,7H2,1-2H3,(H,19,21)(H,23,24)