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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylsulfanyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(3-hydroxypropylthio)-7-isoamyl-3-methyl-xanthine Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O3S/c1-9(2)5-6-18-10-11(15-14(18)22-8-4-7-19)17(3)13(21)16-12(10)20/h9,19H,4-8H2,1-3H3,(H,16,20,21)