N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-yl-ethanamide Openeye Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(3-pyridyl)-2-pyrrolidin-1-yl-acetamide CAS Name: N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide IUPAC Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide Traditional Name: N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-(3-pyridyl)-2-pyrrolidino-acetamide Formula: C25H26ClN5O2S MolecularWeight: 496.02424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C(C4=CN=CC=C4)N5CCCC5

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C(C4=CN=CC=C4)N5CCCC5

InChI

InChI=1S/C25H26ClN5O2S/c1-34-25-28-8-6-21(30-25)17-11-18-12-19(33-23(18)20(26)13-17)15-29-24(32)22(31-9-2-3-10-31)16-5-4-7-27-14-16/h4-8,11,13-14,19,22H,2-3,9-10,12,15H2,1H3,(H,29,32)