2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-(m-tolylmethyl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-[(3-methylphenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-5-[(3-methylphenyl)methyl]-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-ethyl-6-(4-isobutyrylpiperazino)-5-(3-methylbenzyl)pyrimidin-2-yl]acetonitrile Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-5-21-20(16-19-8-6-7-18(4)15-19)23(27-22(26-21)9-10-25)28-11-13-29(14-12-28)24(30)17(2)3/h6-8,15,17H,5,9,11-14,16H2,1-4H3