4-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyrimidin-2-amine

Systemtic Name: 4-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyrimidin-2-amine Openeye Name: 4-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyrimidin-2-amine CAS Name: 4-methoxy-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-2-pyrimidinamine IUPAC Name: 4-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyrimidin-2-amine Traditional Name: (4-methoxypyrimidin-2-yl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C16H24N7O+ MolecularWeight: 330.40806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=NC(=NC=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H23N7O/c1-24-14-4-8-18-15(21-14)17-7-3-9-22-10-12-23(13-11-22)16-19-5-2-6-20-16/h2,4-6,8H,3,7,9-13H2,1H3,(H,17,18,21)/p+1