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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(phenylthio)methyl]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenylsulfanylmethyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(phenylthio)methyl]xanthine Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-24-18-17(19(26)23-20(24)27)25(11-13-7-5-6-10-15(13)21)16(22-18)12-28-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,23,26,27)