1,11-bis(chloranyl)-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol

Systemtic Name: 1,11-bis(chloranyl)-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 1,11-dichloro-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1,11-dichloro-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 1,11-dichloro-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 1,11-dichloro-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C14H12Cl2N4OS MolecularWeight: 355.24228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)Cl)O)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)Cl)O)SC

InChI

InChI=1S/C14H12Cl2N4OS/c1-20-12-7(3-8(21)5-9(12)22-2)4-10(15)19-11-13(16)17-6-18-14(11)20/h3,5-6,21H,4H2,1-2H3