N-[[(2R)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Openeye Name: N-[[(2R)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide CAS Name: N-[[(2R)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]butanamide IUPAC Name: N-[[(2R)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Traditional Name: N-[[(2R)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]butyramide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-3-4-16(23)21-10-13-8-12-7-11(9-14(19)17(12)24-13)15-5-6-20-18(22-15)25-2/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,21,23)/t13-/m1/s1