2-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-nitro-2-furyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-nitro-2-furanyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(5-nitro-2-furyl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C13H16N5O3+ MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C13H15N5O3/c19-18(20)12-3-2-11(21-12)10-16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-10H2/p+1