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

Systemtic Name: 7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O3S/c1-3-4-5-6-7-18-10-11(15-14(18)22-9-8-19)17(2)13(21)16-12(10)20/h19H,3-9H2,1-2H3,(H,16,20,21)