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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H20N6O2S MolecularWeight: 432.4982

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-])NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4

InChI

InChI=1S/C22H20N6O2S/c29-28(30)20-21(24-13-11-18-9-6-14-31-18)25-16-26-22(20)27(19-10-4-5-12-23-19)15-17-7-2-1-3-8-17/h1-10,12,14,16H,11,13,15H2,(H,24,25,26)