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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(hexylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(hexylthio)-1,3-dimethyl-xanthine Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-4-5-6-9-12-28-19-22-17-16(18(26)24(3)20(27)23(17)2)25(19)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3