2-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O3/c1-2-28(17-18-32)24-23(31(33)34)25(27-19-26-24)30-15-13-29(14-16-30)22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22,32H,2,13-18H2,1H3