N4-(5-bromanylpyridin-2-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(5-bromo-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(5-bromopyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H13BrN6O2 MolecularWeight: 401.21742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN6O2/c17-12-6-7-13(18-9-12)22-16-14(23(24)25)15(20-10-21-16)19-8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,18,19,20,21,22)