propan-2-yl 5-methyl-3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-3-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(o-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-11(2)28-21(27)17-13(4)16-19(29-17)22-10-24(20(16)26)14(5)18(25)23-15-9-7-6-8-12(15)3/h6-11,14H,1-5H3,(H,23,25)