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

Systemtic Name: 5-methyl-3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-3-[2-(3-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-3-[2-(3-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(m-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-9-4-3-5-11(6-9)20-12(22)7-21-8-19-16-13(17(21)24)10(2)14(25-16)15(18)23/h3-6,8H,7H2,1-2H3,(H2,18,23)(H,20,22)