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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[[(2R)-2-oxiranyl]methylthio]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[[(2R)-oxiran-2-yl]methylsulfanyl]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[[(2R)-oxiran-2-yl]methylthio]xanthine Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3CO3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC[C@H]3CO3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-20-13-12(14(22)19-15(20)23)21(6-9-4-2-3-5-11(9)17)16(18-13)25-8-10-7-24-10/h2-5,10H,6-8H2,1H3,(H,19,22,23)/t10-/m1/s1