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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C24H24ClN7O MolecularWeight: 461.94666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)Cl

InChI

InChI=1S/C24H24ClN7O/c1-33-21-8-7-17(15-19(21)25)28-23-18-5-2-3-6-20(18)29-22(30-23)16-31-11-13-32(14-12-31)24-26-9-4-10-27-24/h2-10,15H,11-14,16H2,1H3,(H,28,29,30)