3-methyl-8-methylsulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-methylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-methylsulfanyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-methylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(methylthio)-7-propyl-xanthine Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2S/c1-4-5-14-6-7(11-10(14)17-3)13(2)9(16)12-8(6)15/h4-5H2,1-3H3,(H,12,15,16)