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

Systemtic Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Openeye Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid CAS Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid IUPAC Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Traditional Name: 4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC=NC3=C2C=CN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=NC3=C2C=CN3

InChI

InChI=1S/C13H10N4O2/c18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,18,19)(H2,14,15,16,17)