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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(phenacylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(phenacylthio)xanthine Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N4O3S/c1-13(2)10-11-24-16-17(22(3)20(27)23(4)18(16)26)21-19(24)28-12-15(25)14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3