8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H20N4O3S/c1-3-4-5-6-17-9-10(14-13(17)21-8-7-18)16(2)12(20)15-11(9)19/h18H,3-8H2,1-2H3,(H,15,19,20)