N4-(3-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O2/c1-10-6-11(2)9-23(8-10)17-21-15(19)14(24(25)26)16(22-17)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