N-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]furan-2-carboxamide Openeye Name: N-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]furan-2-carboxamide CAS Name: N-[2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]ethyl]furan-2-carboxamide Traditional Name: N-[2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]ethyl]-2-furamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCNC(=O)C2=CC=CO2

InChI

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