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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N6O3/c1-10-6-11(2)9-21(8-10)15-13(22(23)24)14(17)19-16(20-15)18-7-12-4-3-5-25-12/h3-5,10-11H,6-9H2,1-2H3,(H3,17,18,19,20)/t10-,11-/m1/s1