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

Systemtic Name: 8-but-3-en-2-ylsulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(1-methylallylsulfanyl)-7-propyl-purine-2,6-dione CAS Name: 8-(but-3-en-2-ylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-but-3-en-2-ylsulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(1-methylallylthio)-7-propyl-xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O2S/c1-5-7-17-9-10(14-13(17)20-8(3)6-2)16(4)12(19)15-11(9)18/h6,8H,2,5,7H2,1,3-4H3,(H,15,18,19)