6-chloranyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 6-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 6-chloro-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 6-chloro-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C17H18ClN6O+ MolecularWeight: 357.81742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C4=NC=CC=N4

InChI

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