N2-(4-chlorophenyl)-5-nitro-N4,N4-bis(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4,N4-bis(pyridin-3-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4,N4-bis(3-pyridylmethyl)pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4,N4-bis(3-pyridinylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N,4-N-bis(pyridin-3-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-bis(3-pyridylmethyl)amine Formula: C22H18ClN7O2 MolecularWeight: 447.87702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CC2=CN=CC=C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CC2=CN=CC=C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN7O2/c23-18-5-7-19(8-6-18)27-22-26-13-20(30(31)32)21(28-22)29(14-16-3-1-9-24-11-16)15-17-4-2-10-25-12-17/h1-13H,14-15H2,(H,26,27,28)