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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[2-piperidino-5-(trifluoromethyl)phenyl]acetamide Formula: C18H20F3N5O2S MolecularWeight: 427.44391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H20F3N5O2S/c19-18(20,21)11-4-5-13(26-6-2-1-3-7-26)12(8-11)23-16(28)10-29-17-24-14(22)9-15(27)25-17/h4-5,8-9H,1-3,6-7,10H2,(H,23,28)(H3,22,24,25,27)