3-(4-methoxyphenyl)-5,6-dimethyl-2-phenethylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-5,6-dimethyl-2-phenethylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-methoxyphenyl)-5,6-dimethyl-2-phenethylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-methoxyphenyl)-5,6-dimethyl-2-(phenethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(4-methoxyphenyl)-5,6-dimethyl-2-phenethylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-methoxyphenyl)-5,6-dimethyl-2-(phenethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCC3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCC3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H22N2O2S2/c1-15-16(2)29-21-20(15)22(26)25(18-9-11-19(27-3)12-10-18)23(24-21)28-14-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3