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

Systemtic Name: 1-[2-(2-chloranylphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-(2-chlorophenoxy)ethyl]purine-2,6-dione CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-(2-chlorophenoxy)ethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-(2-chlorophenoxy)ethyl]xanthine Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=CC=C5Cl

InChI

InChI=1S/C27H23ClN4O3/c28-22-13-7-8-14-23(22)35-16-15-31-26(33)24-25(29-19-30(24)17-20-9-3-1-4-10-20)32(27(31)34)18-21-11-5-2-6-12-21/h1-14,19H,15-18H2