9-but-2-ynyl-8-(3-fluorophenyl)purin-6-amine hydrochloride

Systemtic Name: 9-but-2-ynyl-8-(3-fluorophenyl)purin-6-amine hydrochloride Openeye Name: 9-but-2-ynyl-8-(3-fluorophenyl)purin-6-amine hydrochloride CAS Name: 9-but-2-ynyl-8-(3-fluorophenyl)-6-purinamine hydrochloride IUPAC Name: 9-but-2-ynyl-8-(3-fluorophenyl)purin-6-amine hydrochloride Traditional Name: [9-but-2-ynyl-8-(3-fluorophenyl)purin-6-yl]amine hydrochloride Formula: C15H13ClFN5 MolecularWeight: 317.748623

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F.Cl

Isomeric SMILES

CC#CCN1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F.Cl

InChI

InChI=1S/C15H12FN5.ClH/c1-2-3-7-21-14(10-5-4-6-11(16)8-10)20-12-13(17)18-9-19-15(12)21;/h4-6,8-9H,7H2,1H3,(H2,17,18,19);1H