3-methoxy-4-(7H-purin-8-yl)benzoic acid

Systemtic Name: 3-methoxy-4-(7H-purin-8-yl)benzoic acid Openeye Name: 3-methoxy-4-(7H-purin-8-yl)benzoic acid CAS Name: 3-methoxy-4-(7H-purin-8-yl)benzoic acid IUPAC Name: 3-methoxy-4-(7H-purin-8-yl)benzoic acid Traditional Name: 3-methoxy-4-(7H-purin-8-yl)benzoic acid Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=NC=NC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C13H10N4O3/c1-20-10-4-7(13(18)19)2-3-8(10)11-16-9-5-14-6-15-12(9)17-11/h2-6H,1H3,(H,18,19)(H,14,15,16,17)