3-butyl-8-[3-oxidanylidene-3-(2-thiophen-2-ylpyrrolidin-1-yl)propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-oxidanylidene-3-(2-thiophen-2-ylpyrrolidin-1-yl)propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-oxo-3-[2-(2-thienyl)pyrrolidin-1-yl]propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-oxo-3-(2-thiophen-2-yl-1-pyrrolidinyl)propyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-oxo-3-(2-thiophen-2-ylpyrrolidin-1-yl)propyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-keto-3-[2-(2-thienyl)pyrrolidino]propyl]xanthine Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C25H35N5O3S/c1-3-5-7-15-29-20(26-23-22(29)24(32)27-25(33)30(23)14-6-4-2)12-13-21(31)28-16-8-10-18(28)19-11-9-17-34-19/h9,11,17-18H,3-8,10,12-16H2,1-2H3,(H,27,32,33)