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

Systemtic Name: N6-(1-adamantyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4-benzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N-benzyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)N(CC5=CC=CC=C5)C6=CC=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)N(CC5=CC=CC=C5)C6=CC=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O2/c33-32(34)23-24(30-26-13-19-10-20(14-26)12-21(11-19)15-26)28-17-29-25(23)31(22-8-4-5-9-27-22)16-18-6-2-1-3-7-18/h1-9,17,19-21H,10-16H2,(H,28,29,30)