3-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile

Systemtic Name: 3-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile Openeye Name: 3-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile CAS Name: 3-[6-(dimethylamino)-8-(3-fluorophenyl)-9-purinyl]propanenitrile IUPAC Name: 3-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile Traditional Name: 3-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propionitrile Formula: C16H15FN6 MolecularWeight: 310.328903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=C(N2CCC#N)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=C(N2CCC#N)C3=CC(=CC=C3)F

InChI

InChI=1S/C16H15FN6/c1-22(2)15-13-16(20-10-19-15)23(8-4-7-18)14(21-13)11-5-3-6-12(17)9-11/h3,5-6,9-10H,4,8H2,1-2H3