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

Systemtic Name: 3-methyl-8-methylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-methylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(methylthio)xanthine Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC=C

InChI

InChI=1S/C10H12N4O2S/c1-4-5-14-6-7(11-10(14)17-3)13(2)9(16)12-8(6)15/h4H,1,5H2,2-3H3,(H,12,15,16)