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

Systemtic Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methyl-amino]-3,7-dihydropurin-2-one Openeye Name: 6-[[(E)-(4-fluorophenyl)methyleneamino]-methyl-amino]-3,7-dihydropurin-2-one CAS Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]-3,7-dihydropurin-2-one IUPAC Name: 6-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]-3,7-dihydropurin-2-one Traditional Name: 6-[[(E)-(4-fluorobenzylidene)amino]-methyl-amino]-3,7-dihydropurin-2-one Formula: C13H11FN6O MolecularWeight: 286.264443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN6O/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+