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

Systemtic Name: N4-(1-adamantyl)-N6-(2-bromophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(2-bromophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(2-bromophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(2-bromophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(2-bromoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC=C5Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC=C5Br

InChI

InChI=1S/C20H22BrN5O2/c21-15-3-1-2-4-16(15)24-18-17(26(27)28)19(23-11-22-18)25-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H2,22,23,24,25)