N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H15FN6O2S MolecularWeight: 374.392703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H15FN6O2S/c1-9-10(2)26-16(21-9)22-15-13(23(24)25)14(19-8-20-15)18-7-11-3-5-12(17)6-4-11/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)