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

Systemtic Name: 3,7-dimethyl-1-[3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]propyl]xanthine Formula: C16H16N6O3S2 MolecularWeight: 404.46664

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=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C16H16N6O3S2/c1-20-9-17-12-11(20)14(23)22(16(24)21(12)2)6-4-8-27-15-19-18-13(25-15)10-5-3-7-26-10/h3,5,7,9H,4,6,8H2,1-2H3