1,3-diethyl-8-methylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-methylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-methylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-diethyl-8-(methylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-methylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-(methylthio)-7H-purine-2,6-quinone Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2S/c1-4-13-7-6(11-9(12-7)17-3)8(15)14(5-2)10(13)16/h4-5H2,1-3H3,(H,11,12)