4-[(7H-purin-6-ylamino)methyl]benzoic acid

Systemtic Name: 4-[(7H-purin-6-ylamino)methyl]benzoic acid Openeye Name: 4-[(7H-purin-6-ylamino)methyl]benzoic acid CAS Name: 4-[(7H-purin-6-ylamino)methyl]benzoic acid IUPAC Name: 4-[(7H-purin-6-ylamino)methyl]benzoic acid Traditional Name: 4-[(7H-purin-6-ylamino)methyl]benzoic acid Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)C(=O)O

InChI

InChI=1S/C13H11N5O2/c19-13(20)9-3-1-8(2-4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H,19,20)(H2,14,15,16,17,18)