6-bromanyl-1-chloranyl-11-iodanyl-5-methyl-8-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 6-bromanyl-1-chloranyl-11-iodanyl-5-methyl-8-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-(benzenesulfonyl)-6-bromo-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-(benzenesulfonyl)-6-bromo-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-(benzenesulfonyl)-6-bromo-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-besyl-6-bromo-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C19H13BrClIN4O2S MolecularWeight: 603.65859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)I)S(=O)(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)I)S(=O)(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C19H13BrClIN4O2S/c1-26-17-11(8-15(22)25-16-18(21)23-10-24-19(16)26)7-13(9-14(17)20)29(27,28)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3