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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-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(CN3CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=CC=C4)O

InChI

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