6-[(4-fluorophenyl)amino]-1,7-dihydropurine-2-thione

Systemtic Name: 6-[(4-fluorophenyl)amino]-1,7-dihydropurine-2-thione Openeye Name: 6-(4-fluoroanilino)-1,7-dihydropurine-2-thione CAS Name: 6-(4-fluoroanilino)-1,7-dihydropurine-2-thione IUPAC Name: 6-(4-fluoroanilino)-1,7-dihydropurine-2-thione Traditional Name: 6-(4-fluoroanilino)-1,7-dihydropurine-2-thione Formula: C11H8FN5S MolecularWeight: 261.278123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C3C(=NC(=S)N2)N=CN3)F

Isomeric SMILES

C1=CC(=CC=C1NC2=C3C(=NC(=S)N2)N=CN3)F

InChI

InChI=1S/C11H8FN5S/c12-6-1-3-7(4-2-6)15-10-8-9(14-5-13-8)16-11(18)17-10/h1-5H,(H3,13,14,15,16,17,18)