2,5-dimethyl-7-oxidanylidene-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile

Systemtic Name: 2,5-dimethyl-7-oxidanylidene-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Openeye Name: 6-benzyl-2,5-dimethyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile CAS Name: 2,5-dimethyl-7-oxo-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile IUPAC Name: 6-benzyl-2,5-dimethyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Traditional Name: 6-benzyl-7-keto-2,5-dimethyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-3-carbonitrile Formula: C16H15N4O+ MolecularWeight: 279.3165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)C(=C(N2)C)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)C(=C(N2)C)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O/c1-10-13(8-12-6-4-3-5-7-12)16(21)20-15(18-10)14(9-17)11(2)19-20/h3-7H,8H2,1-2H3,(H,18,19,21)/p+1