6-(5-bromanylquinolin-8-yl)oxy-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(diphenylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C26H18BrN5O3 MolecularWeight: 528.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C26H18BrN5O3/c27-20-13-14-21(23-19(20)12-7-15-28-23)35-26-24(32(33)34)25(29-16-30-26)31-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,22H,(H,29,30,31)