7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)ethyl]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)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N4O5/c1-31-14-12-26-17-25-22-21(26)23(29)27(13-15-33-20-10-8-19(32-2)9-11-20)24(30)28(22)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3