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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(nonylthio)xanthine Formula: C18H30N4O3S MolecularWeight: 382.5208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H30N4O3S/c1-4-5-6-7-8-9-10-13-26-18-19-15-14(22(18)11-12-25-3)16(23)20-17(24)21(15)2/h4-13H2,1-3H3,(H,20,23,24)