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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C21H20FN5O3S MolecularWeight: 441.478603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN5O3S/c22-15-9-5-4-8-14(15)19(29)25-17-18(23)26-21(27-20(17)30)31-12-16(28)24-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,28)(H,25,29)(H3,23,26,27,30)