1,3-dimethyl-7-pentyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-pentyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-pentyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(benzylthio)-1,3-dimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O2S/c1-4-5-9-12-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)26-13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3