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

Systemtic Name: 8-butylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-isopropyl-3-methyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

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