1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)-7H-purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)-7H-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3-[2-(methylthio)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)-7H-purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3-[2-(methylthio)phenyl]-7H-purine-2,6-quinone Formula: C19H15FN4O2S MolecularWeight: 382.411403

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3

Isomeric SMILES

CSC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3

InChI

InChI=1S/C19H15FN4O2S/c1-27-15-9-5-4-8-14(15)24-17-16(21-11-22-17)18(25)23(19(24)26)10-12-6-2-3-7-13(12)20/h2-9,11H,10H2,1H3,(H,21,22)