2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6O/c24-16-13-4-1-2-5-14(13)20-15(21-16)12-22-8-10-23(11-9-22)17-18-6-3-7-19-17/h1-7H,8-12H2,(H,20,21,24)/p+1