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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-8-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6-ethoxy-11-isopropylsulfonyl-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-5-methyl-8-(methylthio)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-ethoxy-5-methyl-8-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6-ethoxy-11-isopropylsulfonyl-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O3S2/c1-6-27-14-9-13(28-5)7-12-8-15(29(25,26)11(2)3)23-16-18(20)21-10-22-19(16)24(4)17(12)14/h7,9-11H,6,8H2,1-5H3