3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-furfuryl)benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-2-19-14-21(27-10-3-4-11-27)26-23(25-19)30-16-17-7-5-8-18(13-17)22(28)24-15-20-9-6-12-29-20/h5-9,12-14H,2-4,10-11,15-16H2,1H3,(H,24,28)