7-(ethoxymethyl)-3-phenyl-1-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-phenyl-1-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-(ethoxymethyl)-3-phenyl-1-(4-pyridylmethyl)purine-2,6-dione CAS Name: 7-(ethoxymethyl)-3-phenyl-1-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 7-(ethoxymethyl)-3-phenyl-1-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(ethoxymethyl)-3-phenyl-1-(4-pyridylmethyl)xanthine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=NC=C4

InChI

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