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

Systemtic Name: 5,6-dimethyl-3-(3-methylphenyl)-2-(2-phenoxyethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-(m-tolyl)-2-(2-phenoxyethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(3-methylphenyl)-2-(2-phenoxyethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-(3-methylphenyl)-2-(2-phenoxyethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-(m-tolyl)-2-(2-phenoxyethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCOC4=CC=CC=C4)SC(=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCOC4=CC=CC=C4)SC(=C3C)C

InChI

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