8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O2S/c1-26-20-19(21(29)27(2)23(26)30)28(14-6-9-16-7-4-3-5-8-16)22(25-20)31-15-17-10-12-18(24)13-11-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3