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

Systemtic Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O3S/c1-18-11-10(13(21)19(2)14(18)22)20(7-15-11)6-9-16-12(23-17-9)8-4-3-5-24-8/h3-5,7H,6H2,1-2H3