2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9-(pyridin-3-ylmethyl)-8H-purin-7-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9-(pyridin-3-ylmethyl)-8H-purin-7-yl]ethanoic acid Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-9-(3-pyridylmethyl)-8H-purin-7-yl]acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-9-(3-pyridinylmethyl)-8H-purin-7-yl]acetic acid IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-9-(pyridin-3-ylmethyl)-8H-purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-1,3-dimethyl-9-(3-pyridylmethyl)-8H-purin-7-yl]acetic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(CN2CC3=CN=CC=C3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(CN2CC3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C15H17N5O4/c1-17-13-12(14(23)18(2)15(17)24)19(8-11(21)22)9-20(13)7-10-4-3-5-16-6-10/h3-6H,7-9H2,1-2H3,(H,21,22)