4-chloranyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol

Systemtic Name: 4-chloranyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol Openeye Name: 4-chloro-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol CAS Name: 4-chloro-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]phenol IUPAC Name: 4-chloro-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol Traditional Name: 4-chloro-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]phenol Formula: C23H22ClN7O MolecularWeight: 447.92008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN7O/c24-16-6-7-20(32)19(14-16)28-22-17-4-1-2-5-18(17)27-21(29-22)15-30-10-12-31(13-11-30)23-25-8-3-9-26-23/h1-9,14,32H,10-13,15H2,(H,27,28,29)