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

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(N(C(=C3)C)C)C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=C(N(C(=C3)C)C)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C23H27N5O4/c1-5-6-9-27-21-20(26(14-24-21)12-17-8-7-10-32-17)22(30)28(23(27)31)13-19(29)18-11-15(2)25(4)16(18)3/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3