1,3-dimethyl-7-[[5-oxidanylidene-4-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[5-oxidanylidene-4-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-oxo-4-[2-(2-thienyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-oxo-4-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-oxo-4-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Traditional Name: 7-[[5-keto-4-[2-(2-thienyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-xanthine Formula: C16H16N6O4S MolecularWeight: 388.40104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN(C(=O)O3)CCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN(C(=O)O3)CCC4=CC=CS4

InChI

InChI=1S/C16H16N6O4S/c1-19-13-12(14(23)20(2)15(19)24)21(9-17-13)8-11-18-22(16(25)26-11)6-5-10-4-3-7-27-10/h3-4,7,9H,5-6,8H2,1-2H3