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

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4,5-dimethylthiazol-2-yl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H19N7O2S MolecularWeight: 433.48626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N7O2S/c1-14-15(2)31-21(25-14)26-19-18(28(29)30)20(24-13-23-19)27(17-10-6-7-11-22-17)12-16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3,(H,23,24,25,26)