2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenylmethyl)purin-7-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenylmethyl)purin-7-yl]ethanoic acid Openeye Name: 2-(8-benzyl-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenylmethyl)-7-purinyl]acetic acid IUPAC Name: 2-(8-benzyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(8-benzyl-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CC(=O)O

InChI

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