4-ethyl-7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-chromen-2-one

Systemtic Name: 4-ethyl-7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-chromen-2-one Openeye Name: 4-ethyl-7-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-chromen-2-one CAS Name: 4-ethyl-7-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxychromen-2-one Traditional Name: 4-ethyl-7-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-coumarin Formula: C24H22N6O5 MolecularWeight: 474.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H22N6O5/c1-2-16-13-21(31)35-19-14-17(6-7-18(16)19)34-24-22(30(32)33)23(26-15-27-24)29-11-9-28(10-12-29)20-5-3-4-8-25-20/h3-8,13-15H,2,9-12H2,1H3