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

Systemtic Name: 6-bromanyl-1-chloranyl-8,11-bis(iodanyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-bromo-1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 6-bromo-1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-bromo-1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-bromo-1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C13H8BrClI2N4 MolecularWeight: 589.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrClI2N4/c1-21-11-6(2-7(16)4-8(11)14)3-9(17)20-10-12(15)18-5-19-13(10)21/h2,4-5H,3H2,1H3