6-(4-fluorophenyl)-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-fluorophenyl)-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-fluorophenyl)-4-oxo-2-(4-phenyl-1-piperazinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-fluorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-fluorophenyl)-4-keto-2-(4-phenylpiperazino)-1H-pyrimidine-5-carbonitrile Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=C(N3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=C(N3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C21H18FN5O/c22-16-8-6-15(7-9-16)19-18(14-23)20(28)25-21(24-19)27-12-10-26(11-13-27)17-4-2-1-3-5-17/h1-9H,10-13H2,(H,24,25,28)