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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[3-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-benzyl-8-(3-benzylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[3-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-benzylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-benzylpiperazino)-1,3-dimethyl-xanthine Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNC(C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c1-28-22-21(23(32)29(2)25(28)33)31(16-19-11-7-4-8-12-19)24(27-22)30-14-13-26-20(17-30)15-18-9-5-3-6-10-18/h3-12,20,26H,13-17H2,1-2H3