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1,3-dibutyl-8-methylsulfanyl-7H-purine-2,6-dione

1,3-dibutyl-8-methylsulfanyl-7H-purine-2,6-dione

Systemtic Name:1,3-dibutyl-8-methylsulfanyl-7H-purine-2,6-dione
Openeye Name:1,3-dibutyl-8-methylsulfanyl-7H-purine-2,6-dione
CAS Name:1,3-dibutyl-8-(methylthio)-7H-purine-2,6-dione
IUPAC Name:1,3-dibutyl-8-methylsulfanyl-7H-purine-2,6-dione
Traditional Name:1,3-dibutyl-8-(methylthio)-7H-purine-2,6-quinone
Formula: C14H22N4O2S
MolecularWeight: 310.41508
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)SC


Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)SC


InChI

InChI=1S/C14H22N4O2S/c1-4-6-8-17-11-10(15-13(16-11)21-3)12(19)18(14(17)20)9-7-5-2/h4-9H2,1-3H3,(H,15,16)


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