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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H23ClN4O2S/c1-4-5-8-11-27-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)12-13-9-6-7-10-14(13)20/h6-7,9-10H,4-5,8,11-12H2,1-3H3