6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-12-9-13(2)11-23(10-12)17-15(24(25)26)16(19)20-18(21-17)22(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,19,20,21)/t12-,13-/m0/s1