1,3-dimethyl-8-[4-(2-phenylethanoyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(2-phenylethanoyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazino]xanthine Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O3/c1-28-23-22(24(34)29(2)26(28)35)32(18-20-11-7-4-8-12-20)25(27-23)31-15-13-30(14-16-31)21(33)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3