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

Systemtic Name: 2-(1-chloranyl-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-[1-chloro-6-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl]phenol IUPAC Name: 2-(1-chloro-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-[1-chloro-6-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl]phenol Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2OC)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)SC)C=C(C=C2OC)C4=CC=CC=C4O

InChI

InChI=1S/C21H19ClN4O2S/c1-26-19-13(10-17(29-3)25-18-20(22)23-11-24-21(18)26)8-12(9-16(19)28-2)14-6-4-5-7-15(14)27/h4-9,11,27H,10H2,1-3H3