3-methyl-8-(2-methylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

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