6-(5-bromanylquinolin-8-yl)oxy-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O3/c1-2-7-19-15-14(22(23)24)16(21-9-20-15)25-12-6-5-11(17)10-4-3-8-18-13(10)12/h2-6,8-9H,1,7H2,(H,19,20,21)