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

Systemtic Name: 8-butan-2-ylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(sec-butylthio)xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O2S/c1-5-7-17-9-10(14-13(17)20-8(3)6-2)16(4)12(19)15-11(9)18/h5,8H,1,6-7H2,2-4H3,(H,15,18,19)