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

Systemtic Name: 7-[(E)-but-2-enyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-(decylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-decylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(decylthio)-3-methyl-xanthine Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H32N4O2S/c1-4-6-8-9-10-11-12-13-15-27-20-21-17-16(24(20)14-7-5-2)18(25)22-19(26)23(17)3/h5,7H,4,6,8-15H2,1-3H3,(H,22,25,26)/b7-5+