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

Systemtic Name: N4-(1-adamantyl)-N6-(5-bromanylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(5-bromo-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(5-bromo-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(5-bromopyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21BrN6O2 MolecularWeight: 445.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC=C(C=C5)Br

InChI

InChI=1S/C19H21BrN6O2/c20-14-1-2-15(21-9-14)24-17-16(26(27)28)18(23-10-22-17)25-19-6-11-3-12(7-19)5-13(4-11)8-19/h1-2,9-13H,3-8H2,(H2,21,22,23,24,25)