1-chloranyl-8-ethoxy-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-ethoxy-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-ethoxy-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-ethoxy-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2S/c1-4-23-10-5-9-6-12(22)20-13-15(17)18-8-19-16(13)21(2)14(9)11(7-10)24-3/h5,7-8H,4,6H2,1-3H3,(H,20,22)