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

Systemtic Name: 3-methyl-7-octyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-3-methyl-7-octyl-xanthine Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N4O3S/c1-4-5-6-7-8-9-10-21-13-14(18-17(21)25-11-12(2)22)20(3)16(24)19-15(13)23/h4-11H2,1-3H3,(H,19,23,24)