4-[5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-ethyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-ethyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-ethyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-ethyl-4-pyrimidinyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[5-(3-chlorobenzyl)-2-(cyanomethyl)-6-ethyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-4-19-18(15-16-6-5-7-17(23)14-16)21(26-20(25-19)8-9-24)28-10-12-29(13-11-28)22(30)27(2)3/h5-7,14H,4,8,10-13,15H2,1-3H3