7-methoxy-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]-7-methoxy-coumarilamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O5/c1-30-16-5-2-4-14-12-17(31-18(14)16)19(28)24-15(13-27)20(29)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h2-7,12,15,27H,8-11,13H2,1H3,(H,24,28)/t15-/m0/s1