8-(3-bromanylpropylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanylpropylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(3-bromopropylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(3-bromopropylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(3-bromopropylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(3-bromopropylthio)-3-methyl-xanthine Formula: C14H21BrN4O2S MolecularWeight: 389.31114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCCBr)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCCBr)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21BrN4O2S/c1-3-4-5-8-19-10-11(16-14(19)22-9-6-7-15)18(2)13(21)17-12(10)20/h3-9H2,1-2H3,(H,17,20,21)