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

Systemtic Name: 2-(1-chloranyl-8-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-[1-chloro-8-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol IUPAC Name: 2-(1-chloro-8-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-[1-chloro-8-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-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=C2C4=CC=CC=C4O)OC

Isomeric SMILES

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

InChI

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