6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidine-4-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(p-tolyl)pyrimidine-4-carbonitrile Formula: C17H20N5+ MolecularWeight: 294.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H19N5/c1-13-3-5-14(6-4-13)16-11-15(12-18)19-17(20-16)22-9-7-21(2)8-10-22/h3-6,11H,7-10H2,1-2H3/p+1