7-dodecyl-3-methyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 8-[(2-keto-1-methyl-propyl)thio]-7-lauryl-3-methyl-xanthine Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H36N4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-26-18-19(25(4)21(29)24-20(18)28)23-22(26)30-17(3)16(2)27/h17H,5-15H2,1-4H3,(H,24,28,29)