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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(4-phenethylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-phenethylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-phenethyl-1-piperazinyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-phenethylpiperazin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-phenethylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C22H30N6O3/c1-24-20-19(21(30)25(2)22(24)31)28(16-23-20)15-18(29)14-27-12-10-26(11-13-27)9-8-17-6-4-3-5-7-17/h3-7,16,18,29H,8-15H2,1-2H3