4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid

Systemtic Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid Openeye Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid CAS Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid IUPAC Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid Traditional Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=CN=CN=C3N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=CN=CN=C3N2)C(=O)O

InChI

InChI=1S/C13H9N3O2/c17-13(18)9-3-1-8(2-4-9)11-5-10-6-14-7-15-12(10)16-11/h1-7H,(H,17,18)(H,14,15,16)