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

Systemtic Name: 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)C4=CC=CC=C4OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C21H28N6O4/c1-23-19-18(20(29)24(2)21(23)30)27(14-22-19)13-15(28)12-25-8-10-26(11-9-25)16-6-4-5-7-17(16)31-3/h4-7,14-15,28H,8-13H2,1-3H3