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

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(3-bromophenoxy)ethyl]-7-isobutyl-purine-2,6-dione CAS Name: 1-[2-(3-bromophenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(3-bromophenoxy)ethyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[2-(3-bromophenoxy)ethyl]-7-isobutyl-xanthine Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN4O3/c1-17(2)14-27-16-26-22-21(27)23(30)28(11-12-32-20-10-6-9-19(25)13-20)24(31)29(22)15-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3