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

Systemtic Name: 2-(pyrrolidin-1-ylmethyl)-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: 2-(pyrrolidin-1-ylmethyl)-N-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: 2-(1-pyrrolidinylmethyl)-N-[3-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: 2-(pyrrolidin-1-ylmethyl)-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: 2-(pyrrolidinomethyl)-N-[3-[[5-(3-thienyl)pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)NC3=CC=CC(=C3)NC4=NC=C(C=N4)C5=CSC=C5

Isomeric SMILES

C1CCN(C1)CC2CCCN2C(=O)NC3=CC=CC(=C3)NC4=NC=C(C=N4)C5=CSC=C5

InChI

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