2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-methoxy-2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H20N6O2/c1-26-16-6-7-19-18(22-16)24-10-8-23(9-11-24)12-15-20-14-5-3-2-4-13(14)17(25)21-15/h2-7H,8-12H2,1H3,(H,20,21,25)/p+1