1,3-dimethyl-7-(2-oxidanyl-4-phenyl-3-piperazin-1-yl-butyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-4-phenyl-3-piperazin-1-yl-butyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-4-phenyl-3-piperazin-1-yl-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-4-phenyl-3-(1-piperazinyl)butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-4-phenyl-3-piperazino-butyl)-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(C(CC3=CC=CC=C3)N4CCNCC4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C(CC3=CC=CC=C3)N4CCNCC4)O

InChI

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