3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-(2-furfurylamino)-2-keto-ethyl]propionamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H22N4O3S/c1-11-14(12(2)21-17(20-11)25-3)6-7-15(22)19-10-16(23)18-9-13-5-4-8-24-13/h4-5,8H,6-7,9-10H2,1-3H3,(H,18,23)(H,19,22)