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

Systemtic Name: 2-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[2-(2-pyridinyl)ethyl]-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC=C2C(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CSCCN1C2=NC(=NC=C2C(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5OS/c23-17-6-4-16(5-7-17)20-26-15-19(21(27-20)28-11-13-30-14-12-28)22(29)25-10-8-18-3-1-2-9-24-18/h1-7,9,15H,8,10-14H2,(H,25,29)