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

Systemtic Name: 1-chloranyl-8-ethoxy-11-fluoranyl-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-11-fluoro-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-11-fluoro-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-11-fluoro-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-11-fluoro-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H16ClFN4OS MolecularWeight: 366.840843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN4OS/c1-4-23-10-5-9-6-12(18)21-13-15(17)19-8-20-16(13)22(2)14(9)11(7-10)24-3/h5,7-8H,4,6H2,1-3H3