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

Systemtic Name: 1-chloranyl-8-iodanyl-5-methyl-11-methylsulfanyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-iodo-6-isopropylsulfonyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-iodo-5-methyl-11-(methylthio)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-iodo-5-methyl-11-methylsulfanyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-iodo-6-isopropylsulfonyl-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C17H18ClIN4O2S2 MolecularWeight: 536.83789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClIN4O2S2/c1-9(2)27(24,25)12-7-11(19)5-10-6-13(26-4)22-14-16(18)20-8-21-17(14)23(3)15(10)12/h5,7-9H,6H2,1-4H3