N-(3-fluoranyl-4-methyl-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C17H19FN4OS MolecularWeight: 346.422363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)F

InChI

InChI=1S/C17H19FN4OS/c1-12-4-5-13(8-14(12)18)21-16(23)10-24-17-9-15(19-11-20-17)22-6-2-3-7-22/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,21,23)