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

Systemtic Name: 7-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-keto-4-[2-(4-methoxyphenyl)pyrrolidino]butyl]-1,3-dimethyl-xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-24-20-19(21(29)25(2)22(24)30)26(14-23-20)12-5-7-18(28)27-13-4-6-17(27)15-8-10-16(31-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3