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

Systemtic Name: 1,3-dimethyl-7-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-benzylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2/c1-22-18-17(19(27)23(2)20(22)28)26(15-21-18)13-12-24-8-10-25(11-9-24)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3