2-(1-chloranyl-11-fluoranyl-6-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol

Systemtic Name: 2-(1-chloranyl-11-fluoranyl-6-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C19H13ClFIN4O MolecularWeight: 494.688593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2I)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2I)C4=CC=CC=C4O

InChI

InChI=1S/C19H13ClFIN4O/c1-26-17-11(8-15(21)25-16-18(20)23-9-24-19(16)26)6-10(7-13(17)22)12-4-2-3-5-14(12)27/h2-7,9,27H,8H2,1H3