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

Systemtic Name: 1-chloranyl-8,11-bis(iodanyl)-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8,11-diiodo-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8,11-diiodo-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8,11-diiodo-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8,11-diiodo-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C14H11ClI2N4S MolecularWeight: 556.59088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClI2N4S/c1-21-12-7(3-8(16)5-9(12)22-2)4-10(17)20-11-13(15)18-6-19-14(11)21/h3,5-6H,4H2,1-2H3