5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H19N7O2 MolecularWeight: 413.43196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C22H19N7O2/c30-29(31)20-21(25-14-18-9-6-11-23-13-18)26-16-27-22(20)28(19-10-4-5-12-24-19)15-17-7-2-1-3-8-17/h1-13,16H,14-15H2,(H,25,26,27)