7-heptyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-heptyl-3-methyl-xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O2S/c1-4-6-7-8-9-10-20-12-13(17-16(20)23-11-5-2)19(3)15(22)18-14(12)21/h5H,2,4,6-11H2,1,3H3,(H,18,21,22)