N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-6-methyl-nicotinamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-12-3-4-13(10-24-12)20(27)25-11-16-8-15-7-14(9-17(22)19(15)28-16)18-5-6-23-21(26-18)29-2/h3-7,9-10,16H,8,11H2,1-2H3,(H,25,27)/t16-/m0/s1