2-[[9-(4-oxidanylbutyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(4-oxidanylbutyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(4-hydroxybutyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(4-hydroxybutyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(4-hydroxybutyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(4-hydroxybutyl)purin-6-yl]amino]benzoic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCO

InChI

InChI=1S/C16H17N5O3/c22-8-4-3-7-21-10-19-13-14(17-9-18-15(13)21)20-12-6-2-1-5-11(12)16(23)24/h1-2,5-6,9-10,22H,3-4,7-8H2,(H,23,24)(H,17,18,20)