N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C17H19F3N4O2S MolecularWeight: 400.41857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2S/c1-9(2)7-8-27-16-23-13(21)12(15(26)24-16)22-14(25)10-3-5-11(6-4-10)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,25)(H3,21,23,24,26)