6-(4-bromanylphenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H12BrN5O3 MolecularWeight: 402.20218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O3/c17-12-3-5-13(6-4-12)25-16-14(22(23)24)15(20-10-21-16)19-9-11-2-1-7-18-8-11/h1-8,10H,9H2,(H,19,20,21)