5-[[9-(1-ethoxyethyl)purin-6-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[9-(1-ethoxyethyl)purin-6-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[9-(1-ethoxyethyl)purin-6-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[9-(1-ethoxyethyl)-6-purinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[9-(1-ethoxyethyl)purin-6-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[9-(1-ethoxyethyl)purin-6-yl]amino]-2-hydroxy-benzoic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)N1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCOC(C)N1C=NC2=C1N=CN=C2NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C16H17N5O4/c1-3-25-9(2)21-8-19-13-14(17-7-18-15(13)21)20-10-4-5-12(22)11(6-10)16(23)24/h4-9,22H,3H2,1-2H3,(H,23,24)(H,17,18,20)