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

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-6-methylsulfanyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-ethoxy-5-methyl-6-(methylthio)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-11-ethoxy-5-methyl-6-methylsulfanyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-6-(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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)SC)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)SC)C

InChI

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