2-[[9-(5-chloranylpentyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(5-chloranylpentyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(5-chloropentyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(5-chloropentyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(5-chloropentyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(5-chloropentyl)purin-6-yl]amino]benzoic acid Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCCl

InChI

InChI=1S/C17H18ClN5O2/c18-8-4-1-5-9-23-11-21-14-15(19-10-20-16(14)23)22-13-7-3-2-6-12(13)17(24)25/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,24,25)(H,19,20,22)