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

Systemtic Name: 2-[4-(4-cyclobutylcarbonylpiperazin-1-yl)-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethyl-5-(m-tolylmethyl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-6-ethyl-5-[(3-methylphenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-[4-(cyclobutanecarbonyl)piperazino]-6-ethyl-5-(3-methylbenzyl)pyrimidin-2-yl]acetonitrile Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CCC3)CC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CCC3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C25H31N5O/c1-3-22-21(17-19-7-4-6-18(2)16-19)24(28-23(27-22)10-11-26)29-12-14-30(15-13-29)25(31)20-8-5-9-20/h4,6-7,16,20H,3,5,8-10,12-15,17H2,1-2H3