6-chloranyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C17H18ClN6O+ MolecularWeight: 357.81742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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