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

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C17H30N7O3+ MolecularWeight: 380.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCC[NH+]3CCOCC3)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NCC[NH+]3CCOCC3)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H29N7O3/c1-12-9-13(2)11-23(10-12)16-14(24(25)26)15(18)20-17(21-16)19-3-4-22-5-7-27-8-6-22/h12-13H,3-11H2,1-2H3,(H3,18,19,20,21)/p+1/t12-,13-/m1/s1