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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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