7-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-9-methyl-3H-purine-6,8-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-9-methyl-3H-purine-6,8-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-9-methyl-3H-purine-6,8-dione CAS Name: 7-[(2-chlorophenyl)methyl]-2-(ethylthio)-9-methyl-3H-purine-6,8-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-9-methyl-3H-purine-6,8-dione Traditional Name: 7-(2-chlorobenzyl)-2-(ethylthio)-9-methyl-3H-purine-6,8-quinone Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3Cl)C

InChI

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