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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(ethylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(ethylthio)-3,7-dimethyl-xanthine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-4-24-15-18-13-12(19(15)2)14(22)21(16(23)20(13)3)9-10-7-5-6-8-11(10)17/h5-8H,4,9H2,1-3H3