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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-isopentylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(isoamylthio)-1,3-dimethyl-xanthine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H23ClN4O2S/c1-12(2)9-10-27-18-21-16-15(17(25)23(4)19(26)22(16)3)24(18)11-13-7-5-6-8-14(13)20/h5-8,12H,9-11H2,1-4H3