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

Systemtic Name: methyl 5-methyl-3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-3-[2-(3-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(m-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-10-5-4-6-12(7-10)20-13(22)8-21-9-19-16-14(17(21)23)11(2)15(26-16)18(24)25-3/h4-7,9H,8H2,1-3H3,(H,20,22)