8-bromanyl-1,3-dimethyl-9-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]xanthine Formula: C14H11BrN6O3S MolecularWeight: 423.24454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)C4=CSC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)C4=CSC=C4)Br

InChI

InChI=1S/C14H11BrN6O3S/c1-19-11-9(12(22)20(2)14(19)23)17-13(15)21(11)5-8-16-10(18-24-8)7-3-4-25-6-7/h3-4,6H,5H2,1-2H3