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

Systemtic Name: 2-[[methyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]methyl]phenol Openeye Name: 2-[[methyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]methyl]phenol CAS Name: 2-[[methyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]methyl]phenol IUPAC Name: 2-[[methyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol Traditional Name: 2-[[methyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]methyl]phenol Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H21N5O3/c1-20(11-13-7-3-4-8-14(13)23)16-15(22(24)25)17(19-12-18-16)21-9-5-2-6-10-21/h3-4,7-8,12,23H,2,5-6,9-11H2,1H3