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

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-5-carbonitrile Formula: C17H20N5O2+ MolecularWeight: 326.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2/c1-21-7-9-22(10-8-21)17-19-15(14(11-18)16(23)20-17)12-3-5-13(24-2)6-4-12/h3-6H,7-10H2,1-2H3,(H,19,20,23)/p+1