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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3/c30-20-8-6-18(7-9-20)10-11-24-22-21(29(31)32)23(26-17-25-22)28-14-12-27(13-15-28)16-19-4-2-1-3-5-19/h1-9,17,30H,10-16H2,(H,24,25,26)