2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylthio)methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-methyl-2-[(piperonylthio)methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C18H16N2O3S/c1-12-2-5-17-19-14(7-18(21)20(17)8-12)10-24-9-13-3-4-15-16(6-13)23-11-22-15/h2-8H,9-11H2,1H3