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

Systemtic Name: N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(cyclopentylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(cyclopentylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2S/c18-17(19,20)10-7-5-9(6-8-10)14(25)22-12-13(21)23-16(24-15(12)26)27-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,22,25)(H3,21,23,24,26)