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

Systemtic Name: N-[6-azanyl-2-(2-methoxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(2-methoxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(2-methoxyethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(2-methoxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(2-methoxyethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C15H15F3N4O3S MolecularWeight: 388.36481

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H15F3N4O3S/c1-25-6-7-26-14-21-11(19)10(13(24)22-14)20-12(23)8-2-4-9(5-3-8)15(16,17)18/h2-5H,6-7H2,1H3,(H,20,23)(H3,19,21,22,24)