N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C20H22F3N5O3S MolecularWeight: 469.48059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N5O3S/c21-20(22,23)13-7-5-12(6-8-13)17(30)25-15-16(24)26-19(27-18(15)31)32-11-14(29)28-9-3-1-2-4-10-28/h5-8H,1-4,9-11H2,(H,25,30)(H3,24,26,27,31)