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

Systemtic Name: 2-(1-chloranyl-11-fluoranyl-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-11-fluoro-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-[1-chloro-11-fluoro-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol IUPAC Name: 2-(1-chloro-11-fluoro-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-[1-chloro-11-fluoro-5-methyl-8-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol Formula: C20H16ClFN4OS MolecularWeight: 414.883643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN4OS/c1-26-18-11(8-16(22)25-17-19(21)23-10-24-20(17)26)7-12(28-2)9-14(18)13-5-3-4-6-15(13)27/h3-7,9-10,27H,8H2,1-2H3