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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2S/c1-11-6-17(26(2)25-11)19(27)23-10-14-8-13-7-12(9-15(21)18(13)28-14)16-4-5-22-20(24-16)29-3/h4-7,9,14H,8,10H2,1-3H3,(H,23,27)/t14-/m0/s1