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

Systemtic Name: N4-cycloheptyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

InChI

InChI=1S/C19H25N5O2/c1-14-8-10-15(11-9-14)12-20-18-17(24(25)26)19(22-13-21-18)23-16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H2,20,21,22,23)