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

Systemtic Name: N2-(4-chlorophenyl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(4-chlorophenyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O2/c1-10-7-11(2)9-23(8-10)16-14(24(25)26)15(19)21-17(22-16)20-13-5-3-12(18)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H3,19,20,21,22)/t10-,11-/m1/s1