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

Systemtic Name: N-[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C13H12FN5O3S MolecularWeight: 337.329483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N)F

InChI

InChI=1S/C13H12FN5O3S/c14-7-3-1-6(2-4-7)11(21)17-9-10(16)18-13(19-12(9)22)23-5-8(15)20/h1-4H,5H2,(H2,15,20)(H,17,21)(H3,16,18,19,22)