1-(4-phenylazanylpyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-phenylazanylpyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-[2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(2-thiophen-2-ylethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-[2-(2-thienyl)ethyl]isonipecotamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=CS2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=CS2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(23-12-8-19-7-4-16-29-19)17-10-14-27(15-11-17)22-24-13-9-20(26-22)25-18-5-2-1-3-6-18/h1-7,9,13,16-17H,8,10-12,14-15H2,(H,23,28)(H,24,25,26)