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

Systemtic Name: N-[6-azanyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H14BrFN4O2S MolecularWeight: 449.296763

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrFN4O2S/c19-12-5-3-11(4-6-12)16(25)22-14-15(21)23-18(24-17(14)26)27-9-10-1-7-13(20)8-2-10/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)