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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C17H21FN6O2 MolecularWeight: 360.386043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN6O2/c1-10-6-11(2)9-23(8-10)16-14(24(25)26)15(19)21-17(22-16)20-13-5-3-4-12(18)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H3,19,20,21,22)/t10-,11-/m1/s1