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

Systemtic Name: 1-chloranyl-11-iodanyl-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-11-iodo-6,8-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-iodo-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-11-iodo-5-methyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-11-iodo-6,8-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C19H22ClIN4O4S2 MolecularWeight: 596.88985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClIN4O4S2/c1-10(2)30(26,27)13-6-12-7-15(21)24-16-18(20)22-9-23-19(16)25(5)17(12)14(8-13)31(28,29)11(3)4/h6,8-11H,7H2,1-5H3