2-(5-fluoranyl-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(5-fluoranyl-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(5-fluoro-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-fluoro-4-pyrrolidino-pyrimidin-2-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C17H21FN4OS MolecularWeight: 348.438243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=C(C(=N2)N3CCCC3)F

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=C(C(=N2)N3CCCC3)F

InChI

InChI=1S/C17H21FN4OS/c1-11-8-13(12(2)21(11)3)15(23)10-24-17-19-9-14(18)16(20-17)22-6-4-5-7-22/h8-9H,4-7,10H2,1-3H3