N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide CAS Name: N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-N-cyclopropyl-4-(2-fluorophenyl)-2-(4-methylpiperazino)pyrimidine-5-carboxamide Formula: C26H28FN5O MolecularWeight: 445.531823

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)N(CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)N(CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H28FN5O/c1-30-13-15-31(16-14-30)26-28-17-22(24(29-26)21-9-5-6-10-23(21)27)25(33)32(20-11-12-20)18-19-7-3-2-4-8-19/h2-10,17,20H,11-16,18H2,1H3