7-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=CC=CC=[N+]3[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=CC=CC=[N+]3[O-])C=C1

InChI

InChI=1S/C15H13N3O2S/c1-11-5-6-13-16-12(8-14(19)17(13)9-11)10-21-15-4-2-3-7-18(15)20/h2-9H,10H2,1H3