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

Systemtic Name: 1,11-bis(chloranyl)-8-iodanyl-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,11-dichloro-8-iodo-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,11-dichloro-8-iodo-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,11-dichloro-8-iodo-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,11-dichloro-8-iodo-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C14H11Cl2IN4S MolecularWeight: 465.13941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl2IN4S/c1-21-12-7(3-8(17)5-9(12)22-2)4-10(15)20-11-13(16)18-6-19-14(11)21/h3,5-6H,4H2,1-2H3