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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidine-4-carbonitrile Openeye Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-4-pyrimidinecarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile Traditional Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Formula: C13H20N5+ MolecularWeight: 246.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N5/c1-10(2)12-8-11(9-14)15-13(16-12)18-6-4-17(3)5-7-18/h8,10H,4-7H2,1-3H3/p+1