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

Systemtic Name: 7-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-p-anisylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-23-20)14-17(29)13-27-10-8-26(9-11-27)12-16-4-6-18(32-3)7-5-16/h4-7,15,17,29H,8-14H2,1-3H3