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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C20H14BrN5O3 MolecularWeight: 452.26086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN5O3/c21-15-8-9-16(17-14(15)7-4-10-22-17)29-20-18(26(27)28)19(24-12-25-20)23-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,25)