(phenylmethyl) 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(1-phenylethylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-16-21-23(33-22(16)25(31)32-14-18-9-5-3-6-10-18)26-15-28(24(21)30)13-20(29)27-17(2)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3,(H,27,29)