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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(3-phenylpropylthio)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)SCCCC3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

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