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

Systemtic Name: 3,7-dimethyl-1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]propyl]xanthine Formula: C18H18N6O3S MolecularWeight: 398.43892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O3S/c1-22-11-19-14-13(22)16(25)24(18(26)23(14)2)9-6-10-28-17-21-20-15(27-17)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3