8-bromanyl-1-chloranyl-5-methyl-6-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 8-bromanyl-1-chloranyl-5-methyl-6-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 6-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-besyl-8-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C19H14BrClN4O3S MolecularWeight: 493.76146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrClN4O3S/c1-25-17-11(8-15(26)24-16-18(21)22-10-23-19(16)25)7-12(20)9-14(17)29(27,28)13-5-3-2-4-6-13/h2-7,9-10H,8H2,1H3,(H,24,26)