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

Systemtic Name: 1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-7-propyl-xanthine Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=NN=C(O3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H20N6O3S/c1-4-10-25-14-15(23(2)19(27)24(3)17(14)26)20-18(25)29-11-13-21-22-16(28-13)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3