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

Systemtic Name: 1,3-dimethyl-8-phenylmethoxy-7-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 8-benzyloxy-1,3-dimethyl-7-(3-pyridylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-phenylmethoxy-7-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenylmethoxy-7-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 8-benzoxy-1,3-dimethyl-7-(3-pyridylmethyl)xanthine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC=CC=C3)CC4=CN=CC=C4

InChI

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