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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C16H17N5O3/c1-2-10(22)7-21-9-19-13-14(17-8-18-15(13)21)20-12-6-4-3-5-11(12)16(23)24/h3-6,8-10,22H,2,7H2,1H3,(H,23,24)(H,17,18,20)