6-[[(E)-(4-fluorophenyl)methylideneamino]-methyl-amino]-3,7-dihydropurine-2-thione

Systemtic Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methyl-amino]-3,7-dihydropurine-2-thione Openeye Name: 6-[[(E)-(4-fluorophenyl)methyleneamino]-methyl-amino]-3,7-dihydropurine-2-thione CAS Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]-3,7-dihydropurine-2-thione IUPAC Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]-3,7-dihydropurine-2-thione Traditional Name: 6-[[(E)-(4-fluorobenzylidene)amino]-methyl-amino]-3,7-dihydropurine-2-thione Formula: C13H11FN6S MolecularWeight: 302.330043

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=S)NC2=C1NC=N2)N=CC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=NC(=S)NC2=C1NC=N2)/N=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C13H11FN6S/c1-20(17-6-8-2-4-9(14)5-3-8)12-10-11(16-7-15-10)18-13(21)19-12/h2-7H,1H3,(H2,15,16,18,19,21)/b17-6+