7-(2-hydroxyethyl)-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CCO

InChI

InChI=1S/C14H16N6O3/c1-19-11-10(12(22)18-14(19)23)20(5-6-21)13(17-11)16-8-9-3-2-4-15-7-9/h2-4,7,21H,5-6,8H2,1H3,(H,16,17)(H,18,22,23)