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

Systemtic Name: 7-heptyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-(methylthio)xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O2S/c1-4-5-6-7-8-9-18-10-11(15-14(18)21-3)17(2)13(20)16-12(10)19/h4-9H2,1-3H3,(H,16,19,20)