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

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-isopropyl-3-methyl-xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2S/c1-5-18-11-12-8-7(15(11)6(2)3)9(16)13-10(17)14(8)4/h6H,5H2,1-4H3,(H,13,16,17)