2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C18H19N6O+ MolecularWeight: 335.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCC[N+]3=CN=CC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCC[N+]3=CN=CC3)C#N

InChI

InChI=1S/C18H18N6O/c1-13-3-5-14(6-4-13)16-15(11-19)17(25)23-18(22-16)21-7-2-9-24-10-8-20-12-24/h3-6,8,12H,2,7,9-10H2,1H3,(H-,21,22,23,25)/p+1