7-chloranyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=NC=CC=N4

InChI

InChI=1S/C17H17ClN6O/c18-12-2-3-13-14(10-12)21-15(22-16(13)25)11-23-6-8-24(9-7-23)17-19-4-1-5-20-17/h1-5,10H,6-9,11H2,(H,21,22,25)