N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]but-3-enamide

Systemtic Name: N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]but-3-enamide Openeye Name: N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]but-3-enamide CAS Name: N-[[(2R)-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-butenamide IUPAC Name: N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]but-3-enamide Traditional Name: N-[[(2R)-7-(5-pyrimidyl)coumaran-2-yl]methyl]but-3-enamide Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NCC1CC2=CC=CC(=C2O1)C3=CN=CN=C3

Isomeric SMILES

C=CCC(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=CN=CN=C3

InChI

InChI=1S/C17H17N3O2/c1-2-4-16(21)20-10-14-7-12-5-3-6-15(17(12)22-14)13-8-18-11-19-9-13/h2-3,5-6,8-9,11,14H,1,4,7,10H2,(H,20,21)/t14-/m1/s1