8-but-3-en-2-ylsulfanyl-7-butyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-but-3-en-2-ylsulfanyl-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-(1-methylallylsulfanyl)purine-2,6-dione CAS Name: 8-(but-3-en-2-ylthio)-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-but-3-en-2-ylsulfanyl-7-butyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-(1-methylallylthio)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O2S/c1-5-7-8-18-10-11(15-14(18)21-9(3)6-2)17(4)13(20)16-12(10)19/h6,9H,2,5,7-8H2,1,3-4H3,(H,16,19,20)