2-[5-[(3-chlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[5-[(3-chlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-5-[(3-chlorophenyl)methyl]-6-ethyl-pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-5-[(3-chlorophenyl)methyl]-6-ethyl-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-5-[(3-chlorophenyl)methyl]-6-ethylpyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-(4-acetylpiperazino)-5-(3-chlorobenzyl)-6-ethyl-pyrimidin-2-yl]acetonitrile Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O/c1-3-19-18(14-16-5-4-6-17(22)13-16)21(25-20(24-19)7-8-23)27-11-9-26(10-12-27)15(2)28/h4-6,13H,3,7,9-12,14H2,1-2H3