2-[6-azanyl-3-(4-methoxyphenyl)carbonyl-purin-2-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-3-(4-methoxyphenyl)carbonyl-purin-2-yl]ethanoic acid Openeye Name: 2-[6-amino-3-(4-methoxybenzoyl)purin-2-yl]acetic acid CAS Name: 2-[6-amino-3-[(4-methoxyphenyl)-oxomethyl]-2-purinyl]acetic acid IUPAC Name: 2-[6-amino-3-(4-methoxybenzoyl)purin-2-yl]acetic acid Traditional Name: 2-(6-amino-3-p-anisoyl-purin-2-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)N2C(=NC(=C3C2=NC=N3)N)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(=NC(=C3C2=NC=N3)N)CC(=O)O

InChI

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