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

Systemtic Name: 4-nitro-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol Openeye Name: 4-nitro-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol CAS Name: 4-nitro-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]phenol IUPAC Name: 4-nitro-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenol Traditional Name: 4-nitro-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]phenol Formula: C23H22N8O3 MolecularWeight: 458.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C5=NC=CC=N5

InChI

InChI=1S/C23H22N8O3/c32-20-7-6-16(31(33)34)14-19(20)27-22-17-4-1-2-5-18(17)26-21(28-22)15-29-10-12-30(13-11-29)23-24-8-3-9-25-23/h1-9,14,32H,10-13,15H2,(H,26,27,28)