N-(1-adamantyl)-6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)OC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)OC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C23H22BrN5O3/c24-17-3-4-18(19-16(17)2-1-5-25-19)32-22-20(29(30)31)21(26-12-27-22)28-23-9-13-6-14(10-23)8-15(7-13)11-23/h1-5,12-15H,6-11H2,(H,26,27,28)