1,3,7-trimethyl-8-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-(2-hydroxy-2-phenyl-ethyl)piperazino]-1,3,7-trimethyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)CC(C4=CC=CC=C4)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)CC(C4=CC=CC=C4)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N6O3/c1-22-16-17(23(2)20(29)24(3)18(16)28)21-19(22)26-11-9-25(10-12-26)13-15(27)14-7-5-4-6-8-14/h4-8,15,27H,9-13H2,1-3H3