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

Systemtic Name: 2-chloranyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Openeye Name: 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid CAS Name: 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid IUPAC Name: 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Traditional Name: 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=NC3=C2C=CN3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=C2C=CN3)Cl)C(=O)O

InChI

InChI=1S/C13H9ClN4O2/c14-10-5-7(1-2-8(10)13(19)20)18-12-9-3-4-15-11(9)16-6-17-12/h1-6H,(H,19,20)(H2,15,16,17,18)