8-heptylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-heptylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(heptylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(heptylthio)-3-methyl-xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

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