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

Systemtic Name: 7-hexyl-3-methyl-8-(2-oxidanylidenebutylsulfanyl)purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-(2-oxobutylsulfanyl)purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(2-oxobutylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-(2-oxobutylsulfanyl)purine-2,6-dione Traditional Name: 7-hexyl-8-(2-ketobutylthio)-3-methyl-xanthine Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O3S/c1-4-6-7-8-9-20-12-13(19(3)15(23)18-14(12)22)17-16(20)24-10-11(21)5-2/h4-10H2,1-3H3,(H,18,22,23)