7-(2-ethoxyethyl)-3-methyl-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-(propylthio)xanthine Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CCOCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1CCOCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H20N4O3S/c1-4-8-21-13-14-10-9(17(13)6-7-20-5-2)11(18)15-12(19)16(10)3/h4-8H2,1-3H3,(H,15,18,19)