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

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O2/c28-27(29)19-20(23-7-6-15-4-2-1-3-5-15)24-14-25-21(19)26-22-11-16-8-17(12-22)10-18(9-16)13-22/h1-5,14,16-18H,6-13H2,(H2,23,24,25,26)