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

Systemtic Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[(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=C(C=C2)C(=O)NCC3=CC=CO3)N4CCCC4

Isomeric SMILES

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

InChI

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