1-chloranyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol

Systemtic Name: 1-chloranyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Openeye Name: 1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol CAS Name: 1-chloro-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol IUPAC Name: 1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Traditional Name: 1-chloro-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O2S/c1-19-12-7(3-8(20)5-9(12)21)4-10(22-2)18-11-13(15)16-6-17-14(11)19/h3,5-6,20-21H,4H2,1-2H3