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

Systemtic Name: 7-chloranyl-2-[[ethyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonio]methyl]quinazolin-4-olate Formula: C21H24ClN7O2 MolecularWeight: 441.91396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN7O2/c1-2-27(13-18-25-17-12-15(22)4-5-16(17)20(31)26-18)14-19(30)28-8-10-29(11-9-28)21-23-6-3-7-24-21/h3-7,12H,2,8-11,13-14H2,1H3,(H,25,26,31)