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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylthio)xanthine Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H29ClN4O2S/c1-4-5-6-7-8-11-14-30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)15-16-12-9-10-13-17(16)23/h9-10,12-13H,4-8,11,14-15H2,1-3H3