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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C14H11ClN6O3S MolecularWeight: 378.79354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NOC(=N3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NOC(=N3)C4=CC=CS4

InChI

InChI=1S/C14H11ClN6O3S/c1-19-10-9(12(22)20(2)14(19)23)21(13(15)17-10)6-8-16-11(24-18-8)7-4-3-5-25-7/h3-5H,6H2,1-2H3