1-chloranyl-8-(2-hydroxyphenyl)-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-(2-hydroxyphenyl)-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=O)NC3=C1N=CN=C3Cl)C=C(C=C2SC)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=O)NC3=C1N=CN=C3Cl)C=C(C=C2SC)C4=CC=CC=C4O

InChI

InChI=1S/C20H17ClN4O2S/c1-25-18-12(9-16(27)24-17-19(21)22-10-23-20(17)25)7-11(8-15(18)28-2)13-5-3-4-6-14(13)26/h3-8,10,26H,9H2,1-2H3,(H,24,27)