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

Systemtic Name: 1-chloranyl-5-methyl-11-methylsulfanyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6,8-bis(isopropylsulfonyl)-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-5-methyl-11-(methylthio)-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-5-methyl-11-methylsulfanyl-6,8-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6,8-bis(isopropylsulfonyl)-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H25ClN4O4S3 MolecularWeight: 517.0849

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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)SC)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S3/c1-11(2)31(26,27)14-7-13-8-16(30-6)24-17-19(21)22-10-23-20(17)25(5)18(13)15(9-14)32(28,29)12(3)4/h7,9-12H,8H2,1-6H3