5-methoxy-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzaldehyde

Systemtic Name: 5-methoxy-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzaldehyde Openeye Name: 5-methoxy-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzaldehyde CAS Name: 5-methoxy-2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]benzaldehyde IUPAC Name: 5-methoxy-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzaldehyde Traditional Name: 2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]-5-methoxy-benzaldehyde Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C=O

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C=O

InChI

InChI=1S/C18H20N4O4/c1-25-15-3-4-16(14(11-15)12-23)26-13-17(24)21-7-9-22(10-8-21)18-19-5-2-6-20-18/h2-6,11-12H,7-10,13H2,1H3