N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C23H21ClFN7 MolecularWeight: 449.911143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=C(C=C4)F)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=C(C=C4)F)Cl)C5=NC=CC=N5

InChI

InChI=1S/C23H21ClFN7/c24-18-14-16(6-7-19(18)25)28-22-17-4-1-2-5-20(17)29-21(30-22)15-31-10-12-32(13-11-31)23-26-8-3-9-27-23/h1-9,14H,10-13,15H2,(H,28,29,30)