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

Systemtic Name: ethyl 5-methyl-2-(4-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-2-(4-methylsulfanylphenyl)-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-2-[4-(methylthio)phenyl]-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-methylsulfanylphenyl)-4-oxo-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-[4-(methylthio)phenyl]-1,2-dihydrothieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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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)SC)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S2/c1-4-29-24(28)21-20-19(15(2)31-21)23(27)26(14-16-8-6-5-7-9-16)22(25-20)17-10-12-18(30-3)13-11-17/h5-13,22,25H,4,14H2,1-3H3