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

Systemtic Name: propan-2-yl 5-methyl-3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-3-[2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(o-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C

InChI

InChI=1S/C20H21N3O4S/c1-11(2)27-20(26)17-13(4)16-18(28-17)21-10-23(19(16)25)9-15(24)22-14-8-6-5-7-12(14)3/h5-8,10-11H,9H2,1-4H3,(H,22,24)