N4-(1-adamantyl)-N6-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-12-3-2-4-21-17(12)24-18-16(26(27)28)19(23-11-22-18)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)