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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2F

InChI

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