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

Systemtic Name: 1-chloranyl-11-fluoranyl-6-methoxy-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-11-fluoro-6-methoxy-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-fluoro-6-methoxy-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-11-fluoro-6-methoxy-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-11-fluoro-6-methoxy-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C15H14ClFN4OS MolecularWeight: 352.814263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)F)SC)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)F)SC)OC

InChI

InChI=1S/C15H14ClFN4OS/c1-21-13-8(4-9(23-3)6-10(13)22-2)5-11(17)20-12-14(16)18-7-19-15(12)21/h4,6-7H,5H2,1-3H3