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

Systemtic Name: 1,3-dimethyl-7-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl]xanthine Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H16N6O3S/c1-20-14-12(15(23)21(2)16(20)24)22(9-17-14)7-3-6-11-18-13(19-25-11)10-5-4-8-26-10/h4-5,8-9H,3,6-7H2,1-2H3