5-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-morpholino-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(4-morpholinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-2-morpholino-pyrimidine-4-carboxamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C19H20ClN5O2S/c20-16-12-23-19(25-6-8-27-9-7-25)24-17(16)18(26)22-5-10-28-13-15-4-2-1-3-14(15)11-21/h1-4,12H,5-10,13H2,(H,22,26)