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

Systemtic Name: 6-bromanyl-1-chloranyl-8-iodanyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-bromo-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 6-bromo-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-bromo-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-bromo-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C13H9BrClIN4O MolecularWeight: 479.49823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrClIN4O/c1-20-11-6(2-7(16)4-8(11)14)3-9(21)19-10-12(15)17-5-18-13(10)20/h2,4-5H,3H2,1H3,(H,19,21)