2-[6-[(4-methoxyphenyl)carbonylamino]purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-methoxyphenyl)carbonylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[(4-methoxybenzoyl)amino]purin-9-yl]acetic acid CAS Name: 2-[6-[[(4-methoxyphenyl)-oxomethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[(4-methoxybenzoyl)amino]purin-9-yl]acetic acid Traditional Name: 2-[6-(p-anisoylamino)purin-9-yl]acetic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3CC(=O)O

InChI

InChI=1S/C15H13N5O4/c1-24-10-4-2-9(3-5-10)15(23)19-13-12-14(17-7-16-13)20(8-18-12)6-11(21)22/h2-5,7-8H,6H2,1H3,(H,21,22)(H,16,17,19,23)