8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazino]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C22H30N6O5/c1-24-19-18(20(31)25(2)22(24)32)28(14-16(30)15-33-17-6-4-3-5-7-17)21(23-19)27-10-8-26(9-11-27)12-13-29/h3-7,16,29-30H,8-15H2,1-2H3/t16-/m0/s1