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

Systemtic Name: 7-heptyl-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-heptyl-3-methyl-xanthine Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

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