8-heptylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-heptylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-heptylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(heptylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(heptylthio)-1,3-dimethyl-xanthine Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O2S/c1-5-7-8-9-10-12-24-16-18-14-13(21(16)11-6-2)15(22)20(4)17(23)19(14)3/h6H,2,5,7-12H2,1,3-4H3