3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NCC4CCCO4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NC[C@H]4CCCO4)C

InChI

InChI=1S/C23H30N4O2S/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/h5,7-8,13,20H,3-4,6,9-12,14-15H2,1-2H3,(H,24,28)/t20-/m1/s1