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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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