5-nitro-N6-(pyridin-3-ylmethyl)-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(pyridin-3-ylmethyl)-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(3-pyridylmethyl)-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(3-pyridinylmethyl)-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C13H11N7O2S MolecularWeight: 329.33714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

InChI

InChI=1S/C13H11N7O2S/c21-20(22)10-11(16-7-9-2-1-3-14-6-9)17-8-18-12(10)19-13-15-4-5-23-13/h1-6,8H,7H2,(H2,15,16,17,18,19)