N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C18H23FN5O2S+ MolecularWeight: 392.470923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H22FN5O2S/c19-13-7-3-2-6-12(13)16(25)21-14-15(20)22-18(23-17(14)26)27-11-10-24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-11H2,(H,21,25)(H3,20,22,23,26)/p+1