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

Systemtic Name: 1-chloranyl-8-ethoxy-11-fluoranyl-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H16ClFN4O2 MolecularWeight: 350.775243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN4O2/c1-4-24-10-5-9-6-12(18)21-13-15(17)19-8-20-16(13)22(2)14(9)11(7-10)23-3/h5,7-8H,4,6H2,1-3H3