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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-8-ethylsulfanyl-7-methyl-purine-2,6-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-8-ethylsulfanyl-7-methyl-purine-2,6-dione CAS Name: 3-[(4-chlorophenyl)methyl]-8-(ethylthio)-7-methylpurine-2,6-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-8-ethylsulfanyl-7-methylpurine-2,6-dione Traditional Name: 3-(4-chlorobenzyl)-8-(ethylthio)-7-methyl-xanthine Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C)C(=O)NC(=O)N2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCSC1=NC2=C(N1C)C(=O)NC(=O)N2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O2S/c1-3-23-15-17-12-11(19(15)2)13(21)18-14(22)20(12)8-9-4-6-10(16)7-5-9/h4-7H,3,8H2,1-2H3,(H,18,21,22)