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

Systemtic Name: 7-methyl-2-(pyridin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-(2-pyridylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(2-pyridinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-(pyridin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(2-pyridylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C15H14N3OS+ MolecularWeight: 284.35616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3OS/c1-11-5-6-13-17-12(8-15(19)18(13)9-11)10-20-14-4-2-3-7-16-14/h2-9H,10H2,1H3/p+1