7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-isopropylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(isopropylthio)-1,3-dimethyl-xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H19ClN4O2S/c1-10(2)25-16-19-14-13(15(23)21(4)17(24)20(14)3)22(16)9-11-7-5-6-8-12(11)18/h5-8,10H,9H2,1-4H3