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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C14H22N4O3S MolecularWeight: 326.41448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H22N4O3S/c1-4-5-6-9-22-14-15-11-10(18(14)7-8-21-3)12(19)16-13(20)17(11)2/h4-9H2,1-3H3,(H,16,19,20)