7-[(E)-but-2-enyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(heptylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(heptylthio)-3-methyl-xanthine Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H26N4O2S/c1-4-6-8-9-10-12-24-17-18-14-13(21(17)11-7-5-2)15(22)19-16(23)20(14)3/h5,7H,4,6,8-12H2,1-3H3,(H,19,22,23)/b7-5+