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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC(=NO3)C4=CSC=C4

InChI

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