6-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-fluorophenyl)-2-[3-(1-imidazolyl)propylamino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C17H15FN6O MolecularWeight: 338.339003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NCCCN3C=CN=C3)C#N)F

InChI

InChI=1S/C17H15FN6O/c18-13-4-2-12(3-5-13)15-14(10-19)16(25)23-17(22-15)21-6-1-8-24-9-7-20-11-24/h2-5,7,9,11H,1,6,8H2,(H2,21,22,23,25)