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

Systemtic Name: 2-(8-bromanyl-1-chloranyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(8-bromo-1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-[8-bromo-1-chloro-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol IUPAC Name: 2-(8-bromo-1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-[8-bromo-1-chloro-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol Formula: C20H16BrClN4OS MolecularWeight: 475.78924

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN4OS/c1-26-18-11(7-12(21)9-14(18)13-5-3-4-6-15(13)27)8-16(28-2)25-17-19(22)23-10-24-20(17)26/h3-7,9-10,27H,8H2,1-2H3