N2-(4-chlorophenyl)-N4-[2-(diphenylmethyl)oxyethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[2-(diphenylmethyl)oxyethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(2-benzhydryloxyethyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(diphenylmethyl)oxyethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(2-benzhydryloxyethyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2-benzhydryloxyethyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H22ClN5O3 MolecularWeight: 475.92688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNC3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN5O3/c26-20-11-13-21(14-12-20)29-25-28-17-22(31(32)33)24(30-25)27-15-16-34-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,17,23H,15-16H2,(H2,27,28,29,30)