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

Systemtic Name: 2-[[9-(2-oxidanylpropyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(2-hydroxypropyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(2-hydroxypropyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(2-hydroxypropyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(2-hydroxypropyl)purin-6-yl]amino]benzoic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3/c1-9(21)6-20-8-18-12-13(16-7-17-14(12)20)19-11-5-3-2-4-10(11)15(22)23/h2-5,7-9,21H,6H2,1H3,(H,22,23)(H,16,17,19)