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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-morpholinoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[2-(4-morpholinyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholinoethylthio)-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H20FN5O3S MolecularWeight: 393.435803

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O3S/c18-12-3-1-11(2-4-12)15(24)20-13-14(19)21-17(22-16(13)25)27-10-7-23-5-8-26-9-6-23/h1-4H,5-10H2,(H,20,24)(H3,19,21,22,25)