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

Systemtic Name: 3-butyl-7-propyl-8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-[[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-[[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]methyl]xanthine Formula: C19H22N6O3S2 MolecularWeight: 446.54638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CS4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CS4)CCC

InChI

InChI=1S/C19H22N6O3S2/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(28-19)12-7-6-10-29-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,26,27)