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

Systemtic Name: N-[6-azanyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[(3-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[(3-fluorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C20H19FN4O4S MolecularWeight: 430.452663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)F)N)OC

InChI

InChI=1S/C20H19FN4O4S/c1-28-14-7-6-12(9-15(14)29-2)18(26)23-16-17(22)24-20(25-19(16)27)30-10-11-4-3-5-13(21)8-11/h3-9H,10H2,1-2H3,(H,23,26)(H3,22,24,25,27)