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

Systemtic Name: N-(2-methoxyethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-methoxyethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-27-12-9-22-20(26)17-7-5-16(6-8-17)15-29-21-23-18(14-28-2)13-19(24-21)25-10-3-4-11-25/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,22,26)