6-(5-bromanylquinolin-8-yl)oxy-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C27H20BrN5O3 MolecularWeight: 542.3834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C27H20BrN5O3/c28-22-13-14-23(24-21(22)12-7-15-29-24)36-27-25(33(34)35)26(30-18-31-27)32(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15,18H,16-17H2