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

Systemtic Name: 8-butylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-butylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(butylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-butylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(butylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O2S/c1-5-6-7-21-14-15-11-10(18(14)8-9(2)3)12(19)16-13(20)17(11)4/h2,5-8H2,1,3-4H3,(H,16,19,20)