7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(3-pyridylmethyl)purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 7-glyceryl-1,3-dimethyl-8-(3-pyridylmethyl)xanthine Formula: C16H19N5O4 MolecularWeight: 345.35316

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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(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-19-14-13(15(24)20(2)16(19)25)21(8-11(23)9-22)12(18-14)6-10-4-3-5-17-7-10/h3-5,7,11,22-23H,6,8-9H2,1-2H3