8-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(3-bromo-5-ethoxy-4-methoxy-phenyl)-7-propyl-purine-2,6-dione CAS Name: 8-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(3-bromo-5-ethoxy-4-methoxyphenyl)-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(3-bromo-5-ethoxy-4-methoxy-phenyl)-7-propyl-xanthine Formula: C24H25BrN4O4 MolecularWeight: 513.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=C(C(=C3)Br)OC)OCC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=C(C(=C3)Br)OC)OCC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H25BrN4O4/c1-4-11-28-19-22(29(24(31)27-23(19)30)14-15-9-7-6-8-10-15)26-21(28)16-12-17(25)20(32-3)18(13-16)33-5-2/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,27,30,31)