6-(4-bromanylphenoxy)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-bromanylphenoxy)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-bromophenoxy)-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-bromophenoxy)-N-(2-furanylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-bromophenoxy)-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H11BrN4O4 MolecularWeight: 391.17624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O4/c16-10-3-5-11(6-4-10)24-15-13(20(21)22)14(18-9-19-15)17-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,17,18,19)