4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoic acid Formula: C13H10ClN5O2 MolecularWeight: 303.7038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O2/c14-13-18-10(9-11(19-13)17-6-16-9)15-5-7-1-3-8(4-2-7)12(20)21/h1-4,6H,5H2,(H,20,21)(H2,15,16,17,18,19)