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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(propylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(propylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H18FN5O3S MolecularWeight: 379.409223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN5O3S/c1-2-7-19-11(23)8-26-16-21-13(18)12(15(25)22-16)20-14(24)9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3,(H,19,23)(H,20,24)(H3,18,21,22,25)