5-bromanyl-8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C18H13BrN6O3 MolecularWeight: 441.23822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C18H13BrN6O3/c1-10-8-11(2)24(23-10)17-16(25(26)27)18(22-9-21-17)28-14-6-5-13(19)12-4-3-7-20-15(12)14/h3-9H,1-2H3