3-methyl-8-pentylsulfanyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-pentylsulfanyl-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-pentylsulfanyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-(pentylthio)-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-pentylsulfanyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(amylthio)-3-methyl-7-phenethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O2S/c1-3-4-8-13-26-19-20-16-15(17(24)21-18(25)22(16)2)23(19)12-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)