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

Systemtic Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-butyl-7-ethyl-xanthine Formula: C21H22N6O5S MolecularWeight: 470.50158

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O5S/c1-3-5-8-27-17-16(18(28)23-20(27)29)26(4-2)15(22-17)10-33-21-25-24-19(32-21)12-6-7-13-14(9-12)31-11-30-13/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,23,28,29)