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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-(2-anilino-1-methyl-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-anilino-2-keto-1-methyl-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-15-19-22(32-20(15)24(30)31-13-17-9-5-3-6-10-17)25-14-27(23(19)29)16(2)21(28)26-18-11-7-4-8-12-18/h3-12,14,16H,13H2,1-2H3,(H,26,28)