2-(8-bromanyl-1-chloranyl-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol

Systemtic Name: 2-(8-bromanyl-1-chloranyl-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C19H13BrClFN4O MolecularWeight: 447.688123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2C4=CC=CC=C4O)Br

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2C4=CC=CC=C4O)Br

InChI

InChI=1S/C19H13BrClFN4O/c1-26-17-10(7-15(22)25-16-18(21)23-9-24-19(16)26)6-11(20)8-13(17)12-4-2-3-5-14(12)27/h2-6,8-9,27H,7H2,1H3