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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-cycloheptyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-cycloheptyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-cycloheptyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-cycloheptyl-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O3/c21-15-9-10-16(17-14(15)8-5-11-22-17)29-20-18(26(27)28)19(23-12-24-20)25-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2,(H,23,24,25)