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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid; pyridin-3-ylmethanol Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; 3-pyridylmethanol CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid; 3-pyridinylmethanol IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; pyridin-3-ylmethanol Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid; 3-pyridylmethanol Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1=CC(=CN=C1)CO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1=CC(=CN=C1)CO

InChI

InChI=1S/C9H10N4O4.C6H7NO/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;8-5-6-2-1-3-7-4-6/h4H,3H2,1-2H3,(H,14,15);1-4,8H,5H2