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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C29H40BrN5O3 MolecularWeight: 586.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=C3C(=C(C=C2)Br)C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C29H40BrN5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-28-27(35(36)37)29(34-22-33-28)38-25-19-18-24(30)23-17-16-21-31-26(23)25/h16-19,21-22H,2-15,20H2,1H3,(H,32,33,34)