[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

Systemtic Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone Openeye Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-furyl]-[2-(2-pyridyl)pyrrolidin-1-yl]methanone CAS Name: [5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-furanyl]-[2-(2-pyridinyl)-1-pyrrolidinyl]methanone IUPAC Name: [5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone Traditional Name: [5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-furyl]-[2-(2-pyridyl)pyrrolidino]methanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3C4=CC=CC=N4)C

InChI

InChI=1S/C21H22N4O2S/c1-14-12-15(2)24-21(23-14)28-13-16-8-9-19(27-16)20(26)25-11-5-7-18(25)17-6-3-4-10-22-17/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3