N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N',N'-dimethyl-butanediamide

Systemtic Name: N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N',N'-dimethyl-butanediamide Openeye Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-N',N'-dimethyl-butanediamide CAS Name: N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-N',N'-dimethylbutanediamide IUPAC Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N',N'-dimethylbutanediamide Traditional Name: N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-N',N'-dimethyl-succinamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl

Isomeric SMILES

CN(C)C(=O)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-25(2)18(27)5-4-17(26)23-11-14-9-13-8-12(10-15(21)19(13)28-14)16-6-7-22-20(24-16)29-3/h6-8,10,14H,4-5,9,11H2,1-3H3,(H,23,26)