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

Systemtic Name: 1-chloranyl-8,11-bis(iodanyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 1-chloro-8,11-diiodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C13H9ClI2N4O MolecularWeight: 526.4987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClI2N4O/c1-20-11-6(2-7(15)4-8(11)21)3-9(16)19-10-12(14)17-5-18-13(10)20/h2,4-5,21H,3H2,1H3