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

Systemtic Name: 8-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(4-p-anisoylpiperazino)xanthine Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28N6O4/c1-28-22-21(24(34)29(2)26(28)35)32(17-18-7-5-4-6-8-18)25(27-22)31-15-13-30(14-16-31)23(33)19-9-11-20(36-3)12-10-19/h4-12H,13-17H2,1-3H3