8-iodanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 8-iodanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 8-iodo-5H-pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 8-iodo-5H-pyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 8-iodo-5H-pyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 8-iodo-5H-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C11H6IN3O2 MolecularWeight: 339.08871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1I)C3=NC(=NC=C3N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1I)C3=NC(=NC=C3N2)C(=O)O

InChI

InChI=1S/C11H6IN3O2/c12-5-1-2-7-6(3-5)9-8(14-7)4-13-10(15-9)11(16)17/h1-4,14H,(H,16,17)