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

Systemtic Name: 3,7-dimethyl-1-[2-oxidanyl-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 1-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-hydroxy-3-[4-(3-phenoxypropyl)-1-piperazinyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazino]propyl]-3,7-dimethyl-xanthine Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CN3CCN(CC3)CCCOC4=CC=CC=C4)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CN3CCN(CC3)CCCOC4=CC=CC=C4)O

InChI

InChI=1S/C23H32N6O4/c1-25-17-24-21-20(25)22(31)29(23(32)26(21)2)16-18(30)15-28-12-10-27(11-13-28)9-6-14-33-19-7-4-3-5-8-19/h3-5,7-8,17-18,30H,6,9-16H2,1-2H3