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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)COC4=CN=CC=C4

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)COC4=CN=CC=C4

InChI

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