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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O2S/c1-4-6-8-20-13-14-10-9(17(13)7-5-2)11(18)15-12(19)16(10)3/h5H,2,4,6-8H2,1,3H3,(H,15,18,19)