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

Systemtic Name: 3-butyl-8-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-propyl-xanthine Formula: C19H22N6O4S MolecularWeight: 430.48078

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O4S/c1-3-5-9-25-15-14(16(26)21-18(25)27)24(8-4-2)13(20-15)11-30-19-23-22-17(29-19)12-7-6-10-28-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,26,27)