4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)COC

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)COC

InChI

InChI=1S/C22H30N4O2S/c1-16(2)13-23-21(27)18-8-6-17(7-9-18)15-29-22-24-19(14-28-3)12-20(25-22)26-10-4-5-11-26/h6-9,12,16H,4-5,10-11,13-15H2,1-3H3,(H,23,27)