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

Systemtic Name: ethyl 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-[(2-methylbenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC=CC=C4C)C

InChI

InChI=1S/C25H24N2O3S2/c1-4-30-24(29)21-17(3)20-22(32-21)26-25(31-15-19-13-9-8-10-16(19)2)27(23(20)28)14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3