8-(2-chloroethylsulfanyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-chloroethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-chloroethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-chloroethylthio)-3-methyl-xanthine Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3

InChI

InChI=1S/C15H15ClN4O2S/c1-19-12-11(13(21)18-14(19)22)20(15(17-12)23-8-7-16)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,18,21,22)