7-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[2-(2,4-dimethoxyphenyl)pyrrolidino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCC3C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCC3C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H29N5O5/c1-25-21-20(22(30)26(2)23(25)31)27(14-24-21)11-6-8-19(29)28-12-5-7-17(28)16-10-9-15(32-3)13-18(16)33-4/h9-10,13-14,17H,5-8,11-12H2,1-4H3