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

Systemtic Name: 2-[4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(5-nitro-2-thienyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(5-nitro-2-thiophenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[(5-nitro-2-thienyl)methyl]piperazino]pyrimidine Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C13H15N5O2S/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