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

Systemtic Name: 7-hexyl-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-hexyl-3-methyl-xanthine Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S/c1-4-5-6-7-8-19-11-12(16-15(19)23-9-10(2)20)18(3)14(22)17-13(11)21/h4-9H2,1-3H3,(H,17,21,22)