4-pyrrolidin-1-yl-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperidine-1-carboxamide

Systemtic Name: 4-pyrrolidin-1-yl-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperidine-1-carboxamide Openeye Name: 4-pyrrolidin-1-yl-N-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxamide CAS Name: 4-(1-pyrrolidinyl)-N-[3-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]-1-piperidinecarboxamide IUPAC Name: 4-pyrrolidin-1-yl-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]piperidine-1-carboxamide Traditional Name: 4-pyrrolidino-N-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)NC3=CC=CC(=C3)NC4=NC=C(C=N4)C5=CSC=C5

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)NC3=CC=CC(=C3)NC4=NC=C(C=N4)C5=CSC=C5

InChI

InChI=1S/C24H28N6OS/c31-24(30-11-6-22(7-12-30)29-9-1-2-10-29)28-21-5-3-4-20(14-21)27-23-25-15-19(16-26-23)18-8-13-32-17-18/h3-5,8,13-17,22H,1-2,6-7,9-12H2,(H,28,31)(H,25,26,27)