2-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[3-(2-methylpyrimidin-4-yl)anilino]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[3-(2-methyl-4-pyrimidinyl)anilino]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(2-methylpyrimidin-4-yl)anilino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[3-(2-methylpyrimidin-4-yl)anilino]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H22N4OS/c1-15-22-10-9-18(24-15)16-5-2-6-17(13-16)23-14-21(26)25-11-3-7-19(25)20-8-4-12-27-20/h2,4-6,8-10,12-13,19,23H,3,7,11,14H2,1H3