7-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-besylpiperazino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C20H22N4O3S/c1-16-7-8-19-21-17(13-20(25)24(19)14-16)15-22-9-11-23(12-10-22)28(26,27)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3