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

Systemtic Name: 1,3,7-trimethyl-8-thiophen-2-ylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-thienylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(thiophen-2-ylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-thiophen-2-ylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-thienylthio)xanthine Formula: C12H12N4O2S2 MolecularWeight: 308.37928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CS3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CS3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H12N4O2S2/c1-14-8-9(15(2)12(18)16(3)10(8)17)13-11(14)20-7-5-4-6-19-7/h4-6H,1-3H3