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

Systemtic Name: 1,3-dimethyl-7-(2-phenylmethoxyphenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-benzyloxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-phenylmethoxyphenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-phenylmethoxyphenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-benzoxyphenyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C24H26N6O3/c1-27-21-20(22(31)28(2)24(27)32)30(23(26-21)29-14-12-25-13-15-29)18-10-6-7-11-19(18)33-16-17-8-4-3-5-9-17/h3-11,25H,12-16H2,1-2H3