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

Systemtic Name: N-[6-azanyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(diethylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(diethylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H20FN5O3S MolecularWeight: 393.435803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN5O3S/c1-3-23(4-2)12(24)9-27-17-21-14(19)13(16(26)22-17)20-15(25)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,20,25)(H3,19,21,22,26)