2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-(2-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-(4-fluorophenyl)-N-(2-pyridinylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-(2-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C21H20FN5OS MolecularWeight: 409.479803

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CSCCN1C2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5OS/c22-16-6-4-15(5-7-16)19-24-14-18(20(26-19)27-9-11-29-12-10-27)21(28)25-13-17-3-1-2-8-23-17/h1-8,14H,9-13H2,(H,25,28)