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

Systemtic Name: 2-methylpropyl 5-methyl-3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-3-[2-(4-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(p-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-12(2)10-28-21(27)18-14(4)17-19(29-18)22-11-24(20(17)26)9-16(25)23-15-7-5-13(3)6-8-15/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)