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

Systemtic Name: 7-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(2-pyrimidinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(2-pyrimidylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H13N4OS+ MolecularWeight: 285.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C14H12N4OS/c1-10-3-4-12-17-11(7-13(19)18(12)8-10)9-20-14-15-5-2-6-16-14/h2-8H,9H2,1H3/p+1