N4-(1,3-benzothiazol-2-yl)-N6-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H10BrFN6O2S MolecularWeight: 461.267703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C17H10BrFN6O2S/c18-9-5-6-11(10(19)7-9)22-15-14(25(26)27)16(21-8-20-15)24-17-23-12-3-1-2-4-13(12)28-17/h1-8H,(H2,20,21,22,23,24)