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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-cyclopentyl-purine-2,6-dione CAS Name: 1-[2-(4-bromophenoxy)ethyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-cyclopentylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-bromophenoxy)ethyl]-7-cyclopentyl-xanthine Formula: C25H25BrN4O3 MolecularWeight: 509.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H25BrN4O3/c26-19-10-12-21(13-11-19)33-15-14-28-24(31)22-23(27-17-30(22)20-8-4-5-9-20)29(25(28)32)16-18-6-2-1-3-7-18/h1-3,6-7,10-13,17,20H,4-5,8-9,14-16H2