3-butyl-7-(furan-2-ylmethyl)-1-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]xanthine Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)N(C=N2)CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)N(C=N2)CC5=CC=CO5

InChI

InChI=1S/C25H28N6O5/c1-2-3-10-30-22-21(29(16-27-22)14-18-7-6-11-36-18)24(34)31(25(30)35)15-20(32)17-12-19(26-13-17)23(33)28-8-4-5-9-28/h6-7,11-13,16,26H,2-5,8-10,14-15H2,1H3