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

Systemtic Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol CAS Name: 4-[2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-21-8-10-22(11-9-21)17-15(23(25)26)16(19-12-20-17)18-7-6-13-2-4-14(24)5-3-13/h2-5,12,24H,6-11H2,1H3,(H,18,19,20)