3-butyl-7-(furan-2-ylmethyl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[[5-(2-furanyl)-3-isoxazolyl]methyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[[5-(2-furyl)isoxazol-3-yl]methyl]xanthine Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NOC(=C3)C4=CC=CO4)N(C=N2)CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NOC(=C3)C4=CC=CO4)N(C=N2)CC5=CC=CO5

InChI

InChI=1S/C22H21N5O5/c1-2-3-8-26-20-19(25(14-23-20)13-16-6-4-9-30-16)21(28)27(22(26)29)12-15-11-18(32-24-15)17-7-5-10-31-17/h4-7,9-11,14H,2-3,8,12-13H2,1H3