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

Systemtic Name: 1-chloranyl-6-methoxy-5-methyl-8-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-11-isopropylsulfonyl-6-methoxy-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-methoxy-5-methyl-8-(methylthio)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-methoxy-5-methyl-8-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-11-isopropylsulfonyl-6-methoxy-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)SC)OC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)SC)OC)C

InChI

InChI=1S/C18H21ClN4O3S2/c1-10(2)28(24,25)14-7-11-6-12(27-5)8-13(26-4)16(11)23(3)18-15(22-14)17(19)20-9-21-18/h6,8-10H,7H2,1-5H3