1,3,7-trimethyl-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-thienyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-thienyl)xanthine Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H12N4O2S/c1-14-8-10(13-9(14)7-5-4-6-19-7)15(2)12(18)16(3)11(8)17/h4-6H,1-3H3