4-[[5-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[5-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-2-yl]amino]cyclohexanol CAS Name: 4-[[5-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-nitropyrimidin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-2-yl]amino]cyclohexanol Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C(C(=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1NC2=NC=C(C(=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H30N6O3/c29-19-8-6-17(7-9-19)25-22-23-14-20(28(30)31)21(26-22)24-18-10-12-27(13-11-18)15-16-4-2-1-3-5-16/h1-5,14,17-19,29H,6-13,15H2,(H2,23,24,25,26)