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

Systemtic Name: N-[6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[(4-chlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C18H14ClFN4O2S MolecularWeight: 404.845763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H14ClFN4O2S/c19-12-5-1-10(2-6-12)9-27-18-23-15(21)14(17(26)24-18)22-16(25)11-3-7-13(20)8-4-11/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)