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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]xanthine Formula: C16H15BrN6O3S MolecularWeight: 451.2977

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCC3=NC(=NO3)C4=CC=CS4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCC3=NC(=NO3)C4=CC=CS4)Br

InChI

InChI=1S/C16H15BrN6O3S/c1-21-13-11(14(24)22(2)16(21)25)19-15(17)23(13)7-3-6-10-18-12(20-26-10)9-5-4-8-27-9/h4-5,8H,3,6-7H2,1-2H3