6-(5-bromanylquinolin-8-yl)oxy-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)OC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)OC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN5O3/c1-11(2)7-9-21-17-16(24(25)26)18(23-10-22-17)27-14-6-5-13(19)12-4-3-8-20-15(12)14/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,22,23)