furan-2-yl-[4-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[4-[5-nitro-6-(2-prop-2-enylphenoxy)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: [4-[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H21N5O5/c1-2-6-16-7-3-4-8-17(16)32-21-19(27(29)30)20(23-15-24-21)25-10-12-26(13-11-25)22(28)18-9-5-14-31-18/h2-5,7-9,14-15H,1,6,10-13H2