N4,N6-dicyclohexyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-dicyclohexyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine Openeye Name: N4,N6-dicyclohexyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine CAS Name: N4,N6-dicyclohexyl-5-nitro-2-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-dicyclohexyl-5-nitro-2-phenylpyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(cyclohexylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C22H29N5O2 MolecularWeight: 395.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O2/c28-27(29)19-21(23-17-12-6-2-7-13-17)25-20(16-10-4-1-5-11-16)26-22(19)24-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H2,23,24,25,26)