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

Systemtic Name: N-[6-azanyl-2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(methylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C14H14FN5O3S MolecularWeight: 351.356063

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CNC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FN5O3S/c1-17-9(21)6-24-14-19-11(16)10(13(23)20-14)18-12(22)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H,17,21)(H,18,22)(H3,16,19,20,23)