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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-isoamyl-3-methyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O2S/c1-5-8-21-14-15-11-10(18(14)7-6-9(2)3)12(19)16-13(20)17(11)4/h5,9H,1,6-8H2,2-4H3,(H,16,19,20)