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

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-11-5-4-6-14(8-11)20-17-15(24(25)26)16(19)21-18(22-17)23-9-12(2)7-13(3)10-23/h4-6,8,12-13H,7,9-10H2,1-3H3,(H3,19,20,21,22)/t12-,13-/m1/s1