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

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-(4-methoxyphenoxy)ethyl]xanthine Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O4/c1-35-23-12-14-24(15-13-23)36-17-16-31-27(33)25-26(29-20-30(25)18-21-8-4-2-5-9-21)32(28(31)34)19-22-10-6-3-7-11-22/h2-15,20H,16-19H2,1H3