2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(piperonylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C

InChI

InChI=1S/C24H20N2O3S2/c1-3-10-26-23(27)21-18(17-7-4-15(2)5-8-17)13-30-22(21)25-24(26)31-12-16-6-9-19-20(11-16)29-14-28-19/h3-9,11,13H,1,10,12,14H2,2H3