2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazino]pyrimidine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5O4/c22-21(23)13-9-15-14(24-11-25-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9H,4-7,10-11H2