3-(2-methoxyethyl)-7-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-pyridyl)xanthine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3/c1-28-12-11-24-18-16(19(26)23-20(24)27)25(13-14-5-3-2-4-6-14)17(22-18)15-7-9-21-10-8-15/h2-10H,11-13H2,1H3,(H,23,26,27)