8-(3-bromanyl-4-prop-2-enoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-prop-2-enoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7-methyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-prop-2-enoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-bromo-4-prop-2-enoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 8-(4-allyloxy-3-bromo-phenyl)-3-benzyl-7-methyl-xanthine Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O3/c1-3-11-30-17-10-9-15(12-16(17)23)19-24-20-18(26(19)2)21(28)25-22(29)27(20)13-14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3,(H,25,28,29)