2-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-ethyl-amino]piperazin-1-yl]ethanol Openeye Name: 2-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]piperazin-1-yl]ethanol CAS Name: 2-[4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-ethylamino]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-ethylamino]piperazin-1-yl]ethanol Traditional Name: 2-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]piperazino]ethanol Formula: C18H24ClN7O3 MolecularWeight: 421.88126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)N3CCN(CC3)CCO

Isomeric SMILES

CCN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)N3CCN(CC3)CCO

InChI

InChI=1S/C18H24ClN7O3/c1-2-25(24-9-7-23(8-10-24)11-12-27)17-16(26(28)29)13-20-18(22-17)21-15-5-3-14(19)4-6-15/h3-6,13,27H,2,7-12H2,1H3,(H,20,21,22)