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

Systemtic Name: 1-chloranyl-8-(2-hydroxyphenyl)-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-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=C2O)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2O)C4=CC=CC=C4O

InChI

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