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

Systemtic Name: 9-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[(1-phthalazinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-[(phthalazin-1-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H15N4OS+ MolecularWeight: 335.4029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C18H14N4OS/c1-12-5-4-8-22-16(23)9-14(20-17(12)22)11-24-18-15-7-3-2-6-13(15)10-19-21-18/h2-10H,11H2,1H3/p+1