3,7-dimethyl-1-(phenylmethyl)-8-(pyridin-3-ylmethoxy)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-(pyridin-3-ylmethoxy)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-(3-pyridylmethoxy)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-(3-pyridinylmethoxy)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(3-pyridylmethoxy)xanthine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5O3/c1-23-16-17(22-19(23)28-13-15-9-6-10-21-11-15)24(2)20(27)25(18(16)26)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3