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

Systemtic Name: N-ethyl-3-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-ethyl-3-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: N-ethyl-3-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: N-ethyl-3-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-ethyl-3-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-4-24(2)20(26)17-9-7-8-16(12-17)15-28-21-22-18(14-27-3)13-19(23-21)25-10-5-6-11-25/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3