N-[6-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[(3,4-dichlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C18H13Cl2FN4O2S MolecularWeight: 439.290823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)Cl)Cl)N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)Cl)Cl)N)F

InChI

InChI=1S/C18H13Cl2FN4O2S/c19-12-6-1-9(7-13(12)20)8-28-18-24-15(22)14(17(27)25-18)23-16(26)10-2-4-11(21)5-3-10/h1-7H,8H2,(H,23,26)(H3,22,24,25,27)