8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(2-chloro-6-fluoro-benzyl)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=C(C=CC=C3Cl)F)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4

InChI

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