6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-phenyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O2/c1-11-8-12(2)10-22(9-11)16-14(23(24)25)15(18)20-17(21-16)19-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H3,18,19,20,21)/t11-,12-/m1/s1