1,3-dimethyl-7-[2-oxidanyl-3-[2-(phenylmethyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[2-(phenylmethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-(2-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[2-(phenylmethyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-benzylpiperazino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3CC4=CC=CC=C4)O

InChI

InChI=1S/C21H28N6O3/c1-24-19-18(20(29)25(2)21(24)30)27(14-23-19)13-17(28)12-26-9-8-22-11-16(26)10-15-6-4-3-5-7-15/h3-7,14,16-17,22,28H,8-13H2,1-2H3