7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(3-phenylpropylthio)xanthine Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-26-19-18(20(28)25-21(26)29)27(14-16-9-11-17(23)12-10-16)22(24-19)30-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,25,28,29)