2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-morpholino-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[2-morpholino-5-(trifluoromethyl)phenyl]acetamide Formula: C17H18F3N5O3S MolecularWeight: 429.41673

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C17H18F3N5O3S/c18-17(19,20)10-1-2-12(25-3-5-28-6-4-25)11(7-10)22-15(27)9-29-16-23-13(21)8-14(26)24-16/h1-2,7-8H,3-6,9H2,(H,22,27)(H3,21,23,24,26)