2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoic acid

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoic acid Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetic acid CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetic acid IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetic acid Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C16H16N4O4/c1-2-18-10-17-14-13(18)15(23)20(9-12(21)22)16(24)19(14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,21,22)