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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3/c1-2-5-11(23)8-22-10-20-14-15(18-9-19-16(14)22)21-13-7-4-3-6-12(13)17(24)25/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,24,25)(H,18,19,21)