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

Systemtic Name: 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H26N6O3/c1-22-18-17(19(27)23(2)20(22)28)26(14-21-18)13-10-24-8-11-25(12-9-24)15-6-4-5-7-16(15)29-3/h4-7,14H,8-13H2,1-3H3