3-methyl-7-(3-methylbutyl)-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[[(2R)-2-oxiranyl]methylthio]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[[(2R)-oxiran-2-yl]methylthio]xanthine Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3CO3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SC[C@H]3CO3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O3S/c1-8(2)4-5-18-10-11(17(3)13(20)16-12(10)19)15-14(18)22-7-9-6-21-9/h8-9H,4-7H2,1-3H3,(H,16,19,20)/t9-/m1/s1