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

Systemtic Name: 5,6-dimethyl-3-(3-methylphenyl)-2-phenethylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-(m-tolyl)-2-phenethylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(3-methylphenyl)-2-(phenethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-(3-methylphenyl)-2-phenethylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-(m-tolyl)-2-(phenethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2OS2 MolecularWeight: 406.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCC4=CC=CC=C4)SC(=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCC4=CC=CC=C4)SC(=C3C)C

InChI

InChI=1S/C23H22N2OS2/c1-15-8-7-11-19(14-15)25-22(26)20-16(2)17(3)28-21(20)24-23(25)27-13-12-18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3