2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(1-hydroxyethyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC(N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C14H13N5O3/c1-8(20)19-7-17-11-12(15-6-16-13(11)19)18-10-5-3-2-4-9(10)14(21)22/h2-8,20H,1H3,(H,21,22)(H,15,16,18)