2-phenyl-N-(pyridin-3-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: 2-phenyl-N-(pyridin-3-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-phenyl-N-(3-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-phenyl-N-(3-pyridinylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-phenyl-N-(pyridin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-phenyl-N-(3-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=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C2=NC(=NC=C2C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

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