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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(octylthio)xanthine Formula: C17H28N4O3S MolecularWeight: 368.49422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H28N4O3S/c1-4-5-6-7-8-9-12-25-17-18-14-13(21(17)10-11-24-3)15(22)19-16(23)20(14)2/h4-12H2,1-3H3,(H,19,22,23)