1,3-dimethyl-7-[2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[4-(3,4,5-trimethoxybenzoyl)piperazino]ethyl]xanthine Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C23H30N6O6/c1-25-20-18(22(31)26(2)23(25)32)29(14-24-20)11-8-27-6-9-28(10-7-27)21(30)15-12-16(33-3)19(35-5)17(13-15)34-4/h12-14H,6-11H2,1-5H3