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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2F)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2F)C4=CC=CC=C4O

InChI

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