2-[[methyl-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]phenol

Systemtic Name: 2-[[methyl-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]phenol Openeye Name: 2-[[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]methyl]phenol CAS Name: 2-[[methyl-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]methyl]phenol IUPAC Name: 2-[[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]methyl]phenol Traditional Name: 2-[[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]methyl]phenol Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O3/c1-26(16-19-9-5-6-10-20(19)30)22-21(29(31)32)23(25-17-24-22)28-13-11-27(12-14-28)15-18-7-3-2-4-8-18/h2-10,17,30H,11-16H2,1H3