N4-(1-adamantyl)-5-nitro-N6-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-(2,2,6,6-tetramethyl-4-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(2,2,6,6-tetramethyl-4-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]amine Formula: C23H36N6O2 MolecularWeight: 428.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H36N6O2/c1-21(2)11-17(12-22(3,4)28-21)26-19-18(29(30)31)20(25-13-24-19)27-23-8-14-5-15(9-23)7-16(6-14)10-23/h13-17,28H,5-12H2,1-4H3,(H2,24,25,26,27)