1-chloranyl-6-(2-hydroxyphenyl)-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2C4=CC=CC=C4O)O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2C4=CC=CC=C4O)O

InChI

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