3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[(4,5-dimethyl-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:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=CO4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=CO4)C

InChI

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