8-decylsulfanyl-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(decylthio)-3-methyl-7-propyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H32N4O2S/c1-4-6-7-8-9-10-11-12-14-26-19-20-16-15(23(19)13-5-2)17(24)21-18(25)22(16)3/h4-14H2,1-3H3,(H,21,24,25)