N6-(2,3-dimethylphenyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H23N5O2 MolecularWeight: 425.48242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H23N5O2/c1-17-10-9-15-21(18(17)2)28-24-23(30(31)32)25(27-16-26-24)29-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,22H,1-2H3,(H2,26,27,28,29)