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

Systemtic Name: 4-ethyl-7-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-chromen-2-one Openeye Name: 4-ethyl-7-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-chromen-2-one CAS Name: 4-ethyl-7-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxychromen-2-one Traditional Name: 4-ethyl-7-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-coumarin Formula: C20H21N5O5 MolecularWeight: 411.41124

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c1-3-13-10-17(26)30-16-11-14(4-5-15(13)16)29-20-18(25(27)28)19(21-12-22-20)24-8-6-23(2)7-9-24/h4-5,10-12H,3,6-9H2,1-2H3