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

Systemtic Name: 1-chloranyl-11-methoxy-5-methyl-8-methylsulfanyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6-isopropylsulfonyl-11-methoxy-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-methoxy-5-methyl-8-(methylthio)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-11-methoxy-5-methyl-8-methylsulfanyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6-isopropylsulfonyl-11-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=C2C(=CC(=C1)SC)CC(=NC3=C(N2C)N=CN=C3Cl)OC

Isomeric SMILES

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

InChI

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