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

Systemtic Name: 7-decyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-(methylthio)xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N4O2S/c1-4-5-6-7-8-9-10-11-12-21-13-14(18-17(21)24-3)20(2)16(23)19-15(13)22/h4-12H2,1-3H3,(H,19,22,23)