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

Systemtic Name: N4-(1-adamantyl)-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(6-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(6-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H24N6O2 MolecularWeight: 380.44356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O2/c1-12-3-2-4-16(23-12)24-18-17(26(27)28)19(22-11-21-18)25-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10H2,1H3,(H2,21,22,23,24,25)