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

Systemtic Name: 2-phenyl-N-(pyridin-2-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-phenyl-N-(2-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-phenyl-N-(2-pyridinylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-phenyl-N-(pyridin-2-ylmethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-phenyl-N-(2-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c27-21(24-14-17-8-4-5-9-22-17)18-15-23-19(16-6-2-1-3-7-16)25-20(18)26-10-12-28-13-11-26/h1-9,15H,10-14H2,(H,24,27)