7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(phenylthio)xanthine Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN4O2S/c1-23-16-15(17(25)22-18(23)26)24(11-12-7-9-13(20)10-8-12)19(21-16)27-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,25,26)