N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(2-morpholinoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-[2-(4-morpholinyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholinoethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C18H20F3N5O3S MolecularWeight: 443.44331

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O3S/c19-18(20,21)12-3-1-11(2-4-12)15(27)23-13-14(22)24-17(25-16(13)28)30-10-7-26-5-8-29-9-6-26/h1-4H,5-10H2,(H,23,27)(H3,22,24,25,28)