2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one CAS Name: 2-[3-(1-piperazin-4-iumylmethyl)phenyl]-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[3-(piperazin-4-ium-1-ylmethyl)phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

InChI

InChI=1S/C20H24N6O/c27-19-14-18(5-10-26-9-2-6-22-26)23-20(24-19)17-4-1-3-16(13-17)15-25-11-7-21-8-12-25/h1-4,6,9,13-14,21H,5,7-8,10-12,15H2,(H,23,24,27)/p+1