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

Systemtic Name: N-[6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O2S/c1-11-3-4-12(2)14(9-11)10-28-20-24-17(22)16(19(27)25-20)23-18(26)13-5-7-15(21)8-6-13/h3-9H,10H2,1-2H3,(H,23,26)(H3,22,24,25,27)