7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridylmethyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridylmethyl)xanthine Formula: C15H17N5O3 MolecularWeight: 315.32718

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(6-7-21)11(17-13)8-10-4-3-5-16-9-10/h3-5,9,21H,6-8H2,1-2H3