N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C19H13F3N6O3S MolecularWeight: 462.40513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C19H13F3N6O3S/c1-10-2-7-13-14(8-10)32-18(26-13)27-17-15(28(29)30)16(23-9-24-17)25-11-3-5-12(6-4-11)31-19(20,21)22/h2-9H,1H3,(H2,23,24,25,26,27)