N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carboxamide Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(m-tolyl)-N-sec-butyl-pyrimidine-5-carboxamide CAS Name: N-butan-2-yl-4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(3-methylphenyl)-5-pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carboxamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-2-(m-tolyl)-N-sec-butyl-pyrimidine-5-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)C4=CC(=CC=C4)C

Isomeric SMILES

CCC(C)NC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H30FN5O/c1-4-19(3)29-26(33)21-17-28-24(20-9-7-8-18(2)16-20)30-25(21)32-14-12-31(13-15-32)23-11-6-5-10-22(23)27/h5-11,16-17,19H,4,12-15H2,1-3H3,(H,29,33)