ethyl 5-methyl-2-(4-nitrophenyl)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-2-(4-nitrophenyl)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-2-(4-nitrophenyl)-4-oxo-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-(4-nitrophenyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(N2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(N2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S/c1-3-31-23(28)20-19-18(14(2)32-20)22(27)25(13-15-7-5-4-6-8-15)21(24-19)16-9-11-17(12-10-16)26(29)30/h4-12,21,24H,3,13H2,1-2H3