6-bromanyl-1-chloranyl-8-ethoxy-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 6-bromanyl-1-chloranyl-8-ethoxy-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-bromo-1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 6-bromo-1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-bromo-1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-bromo-1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C15H13BrClFN4O MolecularWeight: 399.645323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)F)Br

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)F)Br

InChI

InChI=1S/C15H13BrClFN4O/c1-3-23-9-4-8-5-11(18)21-12-14(17)19-7-20-15(12)22(2)13(8)10(16)6-9/h4,6-7H,3,5H2,1-2H3