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

Systemtic Name: 2-[[9-(5-oxidanylpentyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(5-hydroxypentyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(5-hydroxypentyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(5-hydroxypentyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(5-hydroxypentyl)purin-6-yl]amino]benzoic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCO

InChI

InChI=1S/C17H19N5O3/c23-9-5-1-4-8-22-11-20-14-15(18-10-19-16(14)22)21-13-7-3-2-6-12(13)17(24)25/h2-3,6-7,10-11,23H,1,4-5,8-9H2,(H,24,25)(H,18,19,21)