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

Systemtic Name: 7-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(1-phthalazinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-(phthalazin-1-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(phthalazin-1-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H15N4OS+ MolecularWeight: 335.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NN=CC4=CC=CC=C43

InChI

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