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

Systemtic Name: 1,3-dimethyl-7-[(4-phenylmethoxyphenyl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(4-benzyloxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-phenylmethoxyphenyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-phenylmethoxyphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(4-benzoxybenzyl)-1,3-dimethyl-8-piperazino-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)N3CCNCC3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3/c1-28-22-21(23(32)29(2)25(28)33)31(24(27-22)30-14-12-26-13-15-30)16-18-8-10-20(11-9-18)34-17-19-6-4-3-5-7-19/h3-11,26H,12-17H2,1-2H3