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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylthio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[(4-fluorobenzyl)thio]-3-methyl-xanthine Formula: C20H16ClFN4O2S MolecularWeight: 430.883043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H16ClFN4O2S/c1-25-17-16(18(27)24-19(25)28)26(10-13-4-2-3-5-15(13)21)20(23-17)29-11-12-6-8-14(22)9-7-12/h2-9H,10-11H2,1H3,(H,24,27,28)