3-methyl-8-(3-methylbutylsulfanyl)-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-phenethyl-purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(isoamylthio)-3-methyl-7-phenethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O2S/c1-13(2)10-12-26-19-20-16-15(17(24)21-18(25)22(16)3)23(19)11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,24,25)