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

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

Isomeric SMILES

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

InChI

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