furan-2-yl-[4-[5-nitro-6-[4-(3-oxidanylpropyl)phenoxy]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[5-nitro-6-[4-(3-oxidanylpropyl)phenoxy]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitropyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperazino]methanone Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)OC3=CC=C(C=C3)CCCO)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)OC3=CC=C(C=C3)CCCO)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H23N5O6/c28-13-1-3-16-5-7-17(8-6-16)33-21-19(27(30)31)20(23-15-24-21)25-9-11-26(12-10-25)22(29)18-4-2-14-32-18/h2,4-8,14-15,28H,1,3,9-13H2