N6-(1-adamantyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1-adamantyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4,N4-dibenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N,4-N-dibenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-dibenzyl-amine Formula: C28H31N5O2 MolecularWeight: 469.57804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O2/c34-33(35)25-26(31-28-14-22-11-23(15-28)13-24(12-22)16-28)29-19-30-27(25)32(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,19,22-24H,11-18H2,(H,29,30,31)