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

Systemtic Name: ethyl 2-(4-bromophenyl)-5-methyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 2-(4-bromophenyl)-5-methyl-4-oxo-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-benzyl-2-(4-bromophenyl)-4-keto-5-methyl-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(N2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(N2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O3S/c1-3-29-23(28)20-19-18(14(2)30-20)22(27)26(13-15-7-5-4-6-8-15)21(25-19)16-9-11-17(24)12-10-16/h4-12,21,25H,3,13H2,1-2H3