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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-6-propionamido-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H16FN5O4S MolecularWeight: 393.392743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN5O4S/c1-2-11(24)19-13-12(15(26)22-16(21-13)27-7-10(18)23)20-14(25)8-3-5-9(17)6-4-8/h3-6H,2,7H2,1H3,(H2,18,23)(H,20,25)(H2,19,21,22,24,26)