2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=CC4=C(C=C3)OCCCO4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=CC4=C(C=C3)OCCCO4)C=C1

InChI

InChI=1S/C19H18N2O3S/c1-13-3-6-18-20-14(9-19(22)21(18)11-13)12-25-15-4-5-16-17(10-15)24-8-2-7-23-16/h3-6,9-11H,2,7-8,12H2,1H3