1-chloranyl-5-methyl-8-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)SC)O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)SC)O)C

InChI

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