2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C20H19FN4O2S/c21-15-6-8-16(9-7-15)23-19(27)13-28-20-24-18(26)12-17(22)25(20)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13,22H2,(H,23,27)