2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-10-6-11(2)9-21(8-10)16-19-14(17)13(22(23)24)15(20-16)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