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

Systemtic Name: 3-butyl-7-ethyl-8-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(5-p-anisyl-1,3,4-oxadiazol-2-yl)thio]methyl]xanthine Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)CC4=CC=C(C=C4)OC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)CC4=CC=C(C=C4)OC)CC

InChI

InChI=1S/C22H26N6O4S/c1-4-6-11-28-19-18(20(29)24-21(28)30)27(5-2)16(23-19)13-33-22-26-25-17(32-22)12-14-7-9-15(31-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H,24,29,30)