N-butyl-4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C20H26FN5O MolecularWeight: 371.451743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H26FN5O/c1-3-4-8-22-20(27)26-11-9-25(10-12-26)18-13-15(2)23-19(24-18)16-6-5-7-17(21)14-16/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,22,27)