ethyl 5-methyl-4-(phenylmethylsulfanyl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(phenylmethylsulfanyl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-benzylsulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(phenylmethylthio)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(benzylthio)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H22N2O2S3 MolecularWeight: 466.63868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC3=CC=CC=C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC3=CC=CC=C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O2S3/c1-3-28-24(27)21-16(2)20-22(30-14-17-10-6-4-7-11-17)25-19(26-23(20)31-21)15-29-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3