1-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C13H11N6O+ MolecularWeight: 267.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=NC(=N3)C#N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C13H10N6O/c1-9-2-3-12-16-10(4-13(20)19(12)6-9)7-18-8-15-11(5-14)17-18/h2-4,6,8H,7H2,1H3/p+1