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

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(4,5-dimethylthiazol-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C17H18N6O2S MolecularWeight: 370.42882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S/c1-10-12(3)26-17(21-10)22-16-14(23(24)25)15(18-9-19-16)20-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H2,18,19,20,21,22)