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

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxidanylidene-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-oxo-3-[2-(3-thienyl)pyrrolidin-1-yl]propyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-[2-(3-thiophenyl)-1-pyrrolidinyl]propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-[2-(3-thienyl)pyrrolidino]propyl]xanthine Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CSC=C4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCC3C4=CSC=C4)CC(C)C

InChI

InChI=1S/C24H33N5O3S/c1-4-5-11-28-22-21(23(31)26-24(28)32)29(14-16(2)3)19(25-22)8-9-20(30)27-12-6-7-18(27)17-10-13-33-15-17/h10,13,15-16,18H,4-9,11-12,14H2,1-3H3,(H,26,31,32)