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

Systemtic Name: 1-chloranyl-11-iodanyl-5-methyl-8-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 8-(benzenesulfonyl)-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 8-(benzenesulfonyl)-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 8-(benzenesulfonyl)-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 8-besyl-1-chloro-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C19H14ClIN4O3S MolecularWeight: 540.76193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClIN4O3S/c1-25-17-11(8-15(21)24-16-18(20)22-10-23-19(16)25)7-13(9-14(17)26)29(27,28)12-5-3-2-4-6-12/h2-7,9-10,26H,8H2,1H3