3-butyl-7-ethyl-8-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]methyl]xanthine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CO4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CO4)CC

InChI

InChI=1S/C18H20N6O4S/c1-3-5-8-24-14-13(15(25)20-17(24)26)23(4-2)12(19-14)10-29-18-22-21-16(28-18)11-7-6-9-27-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,20,25,26)