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

Systemtic Name: 1,11-bis(chloranyl)-8-methoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,11-dichloro-8-methoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,11-dichloro-8-methoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,11-dichloro-8-methoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,11-dichloro-8-methoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C15H14Cl2N4OS MolecularWeight: 369.26886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N4OS/c1-21-13-8(4-9(22-2)6-10(13)23-3)5-11(16)20-12-14(17)18-7-19-15(12)21/h4,6-7H,5H2,1-3H3