2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]-N-phenethyl-morpholine-4-carboxamide

Systemtic Name: 2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]-N-phenethyl-morpholine-4-carboxamide Openeye Name: 2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]-N-phenethyl-morpholine-4-carboxamide CAS Name: 2-[[6-(methoxymethyl)-2-(methylthio)-4-pyrimidinyl]oxymethyl]-N-phenethyl-4-morpholinecarboxamide IUPAC Name: 2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]-N-phenethylmorpholine-4-carboxamide Traditional Name: 2-[[6-(methoxymethyl)-2-(methylthio)pyrimidin-4-yl]oxymethyl]-N-phenethyl-morpholine-4-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SC)OCC2CN(CCO2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COCC1=CC(=NC(=N1)SC)OCC2CN(CCO2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4S/c1-27-14-17-12-19(24-20(23-17)30-2)29-15-18-13-25(10-11-28-18)21(26)22-9-8-16-6-4-3-5-7-16/h3-7,12,18H,8-11,13-15H2,1-2H3,(H,22,26)