8-butan-2-ylsulfanyl-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-butan-2-ylsulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-7-propyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-7-propyl-8-(sec-butylthio)xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

InChI

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