4-[(2-ethyl-6-oxidanylidene-3H-purin-7-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-ethyl-6-oxidanylidene-3H-purin-7-yl)methyl]benzoic acid Openeye Name: 4-[(2-ethyl-6-oxo-3H-purin-7-yl)methyl]benzoic acid CAS Name: 4-[(2-ethyl-6-oxo-3H-purin-7-yl)methyl]benzoic acid IUPAC Name: 4-[(2-ethyl-6-oxo-3H-purin-7-yl)methyl]benzoic acid Traditional Name: 4-[(2-ethyl-6-keto-3H-purin-7-yl)methyl]benzoic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N4O3/c1-2-11-17-13-12(14(20)18-11)19(8-16-13)7-9-3-5-10(6-4-9)15(21)22/h3-6,8H,2,7H2,1H3,(H,21,22)(H,17,18,20)