2-piperazin-4-ium-1-yl-6-propan-2-yl-pyrimidine-4-carbonitrile

Systemtic Name: 2-piperazin-4-ium-1-yl-6-propan-2-yl-pyrimidine-4-carbonitrile Openeye Name: 6-isopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 2-(1-piperazin-4-iumyl)-6-propan-2-yl-4-pyrimidinecarbonitrile IUPAC Name: 2-piperazin-4-ium-1-yl-6-propan-2-ylpyrimidine-4-carbonitrile Traditional Name: 6-isopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C12H18N5+ MolecularWeight: 232.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C12H17N5/c1-9(2)11-7-10(8-13)15-12(16-11)17-5-3-14-4-6-17/h7,9,14H,3-6H2,1-2H3/p+1