7-(2-methoxyethyl)-1-(2-oxidanyl-3-phenoxy-propyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(2-oxidanyl-3-phenoxy-propyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-(2-hydroxy-3-phenoxy-propyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-(2-hydroxy-3-phenoxypropyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(2-hydroxy-3-phenoxy-propyl)-7-(2-methoxyethyl)xanthine Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C24H26N4O5/c1-32-13-12-26-17-25-22-21(26)23(30)28(15-19(29)16-33-20-10-6-3-7-11-20)24(31)27(22)14-18-8-4-2-5-9-18/h2-11,17,19,29H,12-16H2,1H3