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

Systemtic Name: 7-(2-methoxyethyl)-1-[2-(4-methylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-(4-methylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methylphenoxy)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methylphenoxy)ethyl]xanthine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-18-8-10-20(11-9-18)32-15-13-27-23(29)21-22(25-17-26(21)12-14-31-2)28(24(27)30)16-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3