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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCCBr)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCCBr)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21BrN4O2S/c1-9(2)5-7-19-10-11(16-14(19)22-8-4-6-15)18(3)13(21)17-12(10)20/h9H,4-8H2,1-3H3,(H,17,20,21)