3-methyl-7-(3-methylbutyl)-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(octylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(octylthio)xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H32N4O2S/c1-5-6-7-8-9-10-13-26-19-20-16-15(23(19)12-11-14(2)3)17(24)21-18(25)22(16)4/h14H,5-13H2,1-4H3,(H,21,24,25)