N6-[(4-chlorophenyl)methyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O2/c19-14-9-7-13(8-10-14)11-20-17-16(24(25)26)18(22-12-21-17)23-15-5-3-1-2-4-6-15/h7-10,12,15H,1-6,11H2,(H2,20,21,22,23)