3-ethyl-1-methylsulfanyl-8-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-1-methylsulfanyl-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-isopropyl-1-methylsulfanyl-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(methylthio)-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-methylsulfanyl-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-isopropyl-1-(methylthio)-7H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)SC)NC(=N2)C(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)SC)NC(=N2)C(C)C

InChI

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