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

Systemtic Name: 7-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-o-veratryl-8-piperazino-xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4/c1-23-17-15(18(27)24(2)20(23)28)26(19(22-17)25-10-8-21-9-11-25)12-13-6-5-7-14(29-3)16(13)30-4/h5-7,21H,8-12H2,1-4H3