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

Systemtic Name: 1-chloranyl-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Openeye Name: 1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol CAS Name: 1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol IUPAC Name: 1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Traditional Name: 1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Formula: C13H10ClFN4O2 MolecularWeight: 308.695503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)F)O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)F)O)O

InChI

InChI=1S/C13H10ClFN4O2/c1-19-11-6(2-7(20)4-8(11)21)3-9(15)18-10-12(14)16-5-17-13(10)19/h2,4-5,20-21H,3H2,1H3