6-methyl-3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 3-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-methyl-1,2,4-triazin-5-olate Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c1-8-3-4-11-15-10(5-12(20)19(11)6-8)7-22-14-16-13(21)9(2)17-18-14/h3-6H,7H2,1-2H3,(H,16,18,21)