[(E)-2-[5-cyano-6-oxidanylidene-3-(phenylmethyl)pyrimidin-4-yl]ethenyl]-dimethyl-azanium

Systemtic Name: [(E)-2-[5-cyano-6-oxidanylidene-3-(phenylmethyl)pyrimidin-4-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-(3-benzyl-5-cyano-6-oxo-pyrimidin-4-yl)vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[5-cyano-6-oxo-3-(phenylmethyl)-4-pyrimidinyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-(3-benzyl-5-cyano-6-oxopyrimidin-4-yl)ethenyl]-dimethylazanium Traditional Name: [(E)-2-(3-benzyl-5-cyano-6-keto-pyrimidin-4-yl)vinyl]-dimethyl-ammonium Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C(=O)N=CN1CC2=CC=CC=C2)C#N

Isomeric SMILES

C[NH+](C)/C=C/C1=C(C(=O)N=CN1CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H16N4O/c1-19(2)9-8-15-14(10-17)16(21)18-12-20(15)11-13-6-4-3-5-7-13/h3-9,12H,11H2,1-2H3/p+1/b9-8+