N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(2R)-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(2R)-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C19H17N5O2S MolecularWeight: 379.43558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=CN=CN=C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1[C@@H](OC2=C1C=C(C=C2)C3=CN=CN=C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C19H17N5O2S/c25-18(11-27-19-22-4-1-5-23-19)24-10-16-7-14-6-13(2-3-17(14)26-16)15-8-20-12-21-9-15/h1-6,8-9,12,16H,7,10-11H2,(H,24,25)/t16-/m1/s1