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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O2S/c1-13(2)10-11-23-15-16(21(3)19(25)22(4)17(15)24)20-18(23)26-12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3