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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(4-methylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-N2-(p-tolyl)pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(p-tolyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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