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

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(5-bromo-2-methoxy-phenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(5-bromo-2-methoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-(5-bromo-2-methoxy-phenyl)-7-methyl-xanthine Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H17BrN4O3/c1-24-16-18(22-17(24)14-10-13(21)8-9-15(14)28-2)25(20(27)23-19(16)26)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,23,26,27)