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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCC3=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)NCC3=CC=C(C=C3)C)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N6O2/c1-12-4-6-15(7-5-12)9-21-19-22-17(20)16(25(26)27)18(23-19)24-10-13(2)8-14(3)11-24/h4-7,13-14H,8-11H2,1-3H3,(H3,20,21,22,23)/t13-,14-/m1/s1