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

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(ethylthio)-7-isoamyl-3-methyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H20N4O2S/c1-5-20-13-14-10-9(17(13)7-6-8(2)3)11(18)15-12(19)16(10)4/h8H,5-7H2,1-4H3,(H,15,18,19)