2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H17N5O/c1-20-7-9-21(10-8-20)16-18-14(12-5-3-2-4-6-12)13(11-17)15(22)19-16/h2-6H,7-10H2,1H3,(H,18,19,22)/p+1