1-chloranyl-5-methyl-6-methylsulfanyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-5-methyl-6-methylsulfanyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-isopropylsulfonyl-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-5-methyl-6-(methylthio)-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-5-methyl-6-methylsulfanyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-isopropylsulfonyl-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C17H19ClN4O3S2 MolecularWeight: 426.94076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=O)NC3=C(N2C)N=CN=C3Cl)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=O)NC3=C(N2C)N=CN=C3Cl)SC

InChI

InChI=1S/C17H19ClN4O3S2/c1-9(2)27(24,25)11-5-10-6-13(23)21-14-16(18)19-8-20-17(14)22(3)15(10)12(7-11)26-4/h5,7-9H,6H2,1-4H3,(H,21,23)