N-[1-benzofuran-2-yl(phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-benzofuran-2-yl(phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[benzofuran-2-yl(phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[2-benzofuranyl(phenyl)methyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[1-benzofuran-2-yl(phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[benzofuran-2-yl(phenyl)methyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H25N3O2S/c1-16-20(17(2)27-25(26-16)31-3)13-14-23(29)28-24(18-9-5-4-6-10-18)22-15-19-11-7-8-12-21(19)30-22/h4-12,15,24H,13-14H2,1-3H3,(H,28,29)