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

Systemtic Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-propyl-purine-2,6-dione Openeye Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-propyl-purine-2,6-dione CAS Name: 8-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-butyl-7-propylpurine-2,6-dione IUPAC Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-propylpurine-2,6-dione Traditional Name: 8-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-butyl-7-propyl-xanthine Formula: C22H24N6O5S MolecularWeight: 484.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)CCC

InChI

InChI=1S/C22H24N6O5S/c1-3-5-9-28-18-17(19(29)24-21(28)30)27(8-4-2)16(23-18)11-34-22-26-25-20(33-22)13-6-7-14-15(10-13)32-12-31-14/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,24,29,30)