3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine

Systemtic Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine Openeye Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine CAS Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine IUPAC Name: 3-[3-(dimethylamino)prop-1-ynyl]-8-(3-fluorophenyl)-9-methyl-2H-purin-6-amine Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2H-purin-3-yl]prop-2-ynyl-dimethyl-amine Formula: C17H19FN6 MolecularWeight: 326.371363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NCN2C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=NCN2C#CCN(C)C)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C17H19FN6/c1-22(2)8-5-9-24-11-20-15(19)14-17(24)23(3)16(21-14)12-6-4-7-13(18)10-12/h4,6-7,10H,8,11H2,1-3H3,(H2,19,20)