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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-morpholino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-morpholino-ethyl)thio]-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C17H18FN5O4S MolecularWeight: 407.419323

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H18FN5O4S/c18-11-4-2-1-3-10(11)15(25)20-13-14(19)21-17(22-16(13)26)28-9-12(24)23-5-7-27-8-6-23/h1-4H,5-9H2,(H,20,25)(H3,19,21,22,26)