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

Systemtic Name: 5-(4-methylphenyl)-2-(2-phenoxyethylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(2-phenoxyethylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(2-phenoxyethylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(2-phenoxyethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(2-phenoxyethylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H22N2O2S2 MolecularWeight: 434.57368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCOC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCOC4=CC=CC=C4)CC=C

InChI

InChI=1S/C24H22N2O2S2/c1-3-13-26-23(27)21-20(18-11-9-17(2)10-12-18)16-30-22(21)25-24(26)29-15-14-28-19-7-5-4-6-8-19/h3-12,16H,1,13-15H2,2H3