N-[6-azanyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C22H20FN5O3S MolecularWeight: 453.489303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5O3S/c23-15-9-7-14(8-10-15)20(30)25-18-19(24)26-22(27-21(18)31)32-12-17(29)28-11-3-5-13-4-1-2-6-16(13)28/h1-2,4,6-10H,3,5,11-12H2,(H,25,30)(H3,24,26,27,31)