7-ethyl-1,3-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-8-isopropylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-ethyl-8-(isopropylthio)-1,3-dimethyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SC(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SC(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O2S/c1-6-16-8-9(13-11(16)19-7(2)3)14(4)12(18)15(5)10(8)17/h7H,6H2,1-5H3