8-ethylsulfanyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(ethylthio)-7-isobutyl-3-methyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2C

InChI

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