2-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile

Systemtic Name: 2-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile Openeye Name: 2-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile CAS Name: 2-[6-(dimethylamino)-8-(3-fluorophenyl)-9-purinyl]propanenitrile IUPAC Name: 2-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propanenitrile Traditional Name: 2-[6-(dimethylamino)-8-(3-fluorophenyl)purin-9-yl]propionitrile Formula: C16H15FN6 MolecularWeight: 310.328903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C2=C(C(=NC=N2)N(C)C)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CC(C#N)N1C2=C(C(=NC=N2)N(C)C)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C16H15FN6/c1-10(8-18)23-14(11-5-4-6-12(17)7-11)21-13-15(22(2)3)19-9-20-16(13)23/h4-7,9-10H,1-3H3