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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N2-isopentyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C16H28N6O2 MolecularWeight: 336.43252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N6O2/c1-10(2)5-6-18-16-19-14(17)13(22(23)24)15(20-16)21-8-11(3)7-12(4)9-21/h10-12H,5-9H2,1-4H3,(H3,17,18,19,20)/t11-,12-/m1/s1