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

Systemtic Name: 8-bromanyl-1-chloranyl-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-bromo-1-chloro-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 8-bromo-1-chloro-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-bromo-1-chloro-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-bromo-1-chloro-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C14H12BrClN4OS MolecularWeight: 399.69328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrClN4OS/c1-20-12-7(3-8(15)5-9(12)22-2)4-10(21)19-11-13(16)17-6-18-14(11)20/h3,5-6H,4H2,1-2H3,(H,19,21)