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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(pyridin-3-ylmethyl)purin-7-yl]ethanoic acid Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(3-pyridylmethyl)purin-7-yl]acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(3-pyridinylmethyl)-7-purinyl]acetic acid IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(3-pyridylmethyl)purin-7-yl]acetic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4/c1-18-13-12(14(23)19(2)15(18)24)20(8-11(21)22)10(17-13)6-9-4-3-5-16-7-9/h3-5,7H,6,8H2,1-2H3,(H,21,22)