8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3/c1-27-22-21(23(32)28(2)25(27)33)31(17-18-7-5-4-6-8-18)24(26-22)30-15-13-29(14-16-30)19-9-11-20(34-3)12-10-19/h4-12H,13-17H2,1-3H3