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

Systemtic Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN5O/c1-5-19-18(14-16-7-6-8-17(22)13-16)20(24-15(2)23-19)26-9-11-27(12-10-26)21(28)25(3)4/h6-8,13H,5,9-12,14H2,1-4H3