8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-chloroethylthio)-3-methyl-xanthine Formula: C15H14Cl2N4O2S MolecularWeight: 385.26826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C15H14Cl2N4O2S/c1-20-12-11(13(22)19-14(20)23)21(15(18-12)24-7-6-16)8-9-4-2-3-5-10(9)17/h2-5H,6-8H2,1H3,(H,19,22,23)