8-(3-ethoxy-4-propoxy-phenyl)-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-ethoxy-4-propoxy-phenyl)-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-ethoxy-4-propoxy-phenyl)-7-(2-hydroxyethyl)purine-2,6-dione CAS Name: 8-(3-ethoxy-4-propoxyphenyl)-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-ethoxy-4-propoxyphenyl)-7-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3-ethoxy-4-propoxy-phenyl)-7-(2-hydroxyethyl)xanthine Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H28N4O5/c1-3-14-34-19-11-10-18(15-20(19)33-4-2)22-26-23-21(28(22)12-13-30)24(31)27-25(32)29(23)16-17-8-6-5-7-9-17/h5-11,15,30H,3-4,12-14,16H2,1-2H3,(H,27,31,32)