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

Systemtic Name: 1-chloranyl-8-iodanyl-5-methyl-6-oxidanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-6-hydroxy-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-hydroxy-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-6-hydroxy-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-6-hydroxy-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C13H10ClIN4O2 MolecularWeight: 416.60157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClIN4O2/c1-19-11-6(2-7(15)4-8(11)20)3-9(21)18-10-12(14)16-5-17-13(10)19/h2,4-5,20H,3H2,1H3,(H,18,21)