7-heptyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 7-heptyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-heptyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-heptyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-heptyl-1,3-dimethyl-8-(methylthio)xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H24N4O2S/c1-5-6-7-8-9-10-19-11-12(16-14(19)22-4)17(2)15(21)18(3)13(11)20/h5-10H2,1-4H3