N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(2R)-5-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=C(N=CC=C4)SC)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C=C2)O[C@H](C3)CNC(=O)C4=C(N=CC=C4)SC)C

InChI

InChI=1S/C22H22N4O2S/c1-13-11-24-14(2)20(26-13)15-6-7-19-16(9-15)10-17(28-19)12-25-21(27)18-5-4-8-23-22(18)29-3/h4-9,11,17H,10,12H2,1-3H3,(H,25,27)/t17-/m1/s1