1-chloranyl-8-ethoxy-5-methyl-6-methylsulfanyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-methylsulfanyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-besyl-1-chloro-8-ethoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)SC

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C22H21ClN4O3S2/c1-4-30-15-10-14-11-18(32(28,29)16-8-6-5-7-9-16)26-19-21(23)24-13-25-22(19)27(2)20(14)17(12-15)31-3/h5-10,12-13H,4,11H2,1-3H3