7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]xanthine Formula: C20H22N6O3S MolecularWeight: 426.49208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H22N6O3S/c1-4-5-11-26-15-16(24(2)20(28)25(3)18(15)27)21-19(26)30-12-14-22-23-17(29-14)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3