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

Systemtic Name: 3-methyl-7-octyl-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-8-(1-methyl-2-oxo-propyl)sulfanyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 8-[(2-keto-1-methyl-propyl)thio]-3-methyl-7-octyl-xanthine Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O3S/c1-5-6-7-8-9-10-11-22-14-15(21(4)17(25)20-16(14)24)19-18(22)26-13(3)12(2)23/h13H,5-11H2,1-4H3,(H,20,24,25)