2-[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-6-ethyl-5-[(4-fluorophenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-(4-acetylpiperazino)-6-ethyl-5-(4-fluorobenzyl)pyrimidin-2-yl]acetonitrile Formula: C21H24FN5O MolecularWeight: 381.446563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN5O/c1-3-19-18(14-16-4-6-17(22)7-5-16)21(25-20(24-19)8-9-23)27-12-10-26(11-13-27)15(2)28/h4-7H,3,8,10-14H2,1-2H3