8-ethylsulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-isopropyl-1,3-dimethyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

InChI

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