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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-bromanylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-bromo-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-bromo-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(5-bromopyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H10BrN7O2S MolecularWeight: 444.2653

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=NC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN7O2S/c17-9-5-6-12(18-7-9)22-14-13(24(25)26)15(20-8-19-14)23-16-21-10-3-1-2-4-11(10)27-16/h1-8H,(H2,18,19,20,21,22,23)