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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 8-[(2-keto-1-methyl-propyl)thio]-3-methyl-7-(2-methylallyl)xanthine Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C(=O)C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H18N4O3S/c1-7(2)6-18-10-11(17(5)13(21)16-12(10)20)15-14(18)22-9(4)8(3)19/h9H,1,6H2,2-5H3,(H,16,20,21)