1-[2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]morpholin-4-yl]-5-thiophen-2-yl-pentan-1-one

Systemtic Name: 1-[2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]morpholin-4-yl]-5-thiophen-2-yl-pentan-1-one Openeye Name: 1-[2-[[6-(methoxymethyl)-2-methylsulfanyl-pyrimidin-4-yl]oxymethyl]morpholin-4-yl]-5-(2-thienyl)pentan-1-one CAS Name: 1-[2-[[6-(methoxymethyl)-2-(methylthio)-4-pyrimidinyl]oxymethyl]-4-morpholinyl]-5-thiophen-2-yl-1-pentanone IUPAC Name: 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-5-thiophen-2-ylpentan-1-one Traditional Name: 1-[2-[[6-(methoxymethyl)-2-(methylthio)pyrimidin-4-yl]oxymethyl]morpholino]-5-(2-thienyl)pentan-1-one Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SC)OCC2CN(CCO2)C(=O)CCCCC3=CC=CS3

Isomeric SMILES

COCC1=CC(=NC(=N1)SC)OCC2CN(CCO2)C(=O)CCCCC3=CC=CS3

InChI

InChI=1S/C21H29N3O4S2/c1-26-14-16-12-19(23-21(22-16)29-2)28-15-17-13-24(9-10-27-17)20(25)8-4-3-6-18-7-5-11-30-18/h5,7,11-12,17H,3-4,6,8-10,13-15H2,1-2H3