2-nitro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline

Systemtic Name: 2-nitro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline Openeye Name: 2-nitro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline CAS Name: 2-nitro-4-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]aniline IUPAC Name: 2-nitro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline Traditional Name: [2-nitro-4-[2-[4-(2-pyrimidyl)piperazino]ethyl]phenyl]amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=C(C=C2)N)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCC2=CC(=C(C=C2)N)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C16H20N6O2/c17-14-3-2-13(12-15(14)22(23)24)4-7-20-8-10-21(11-9-20)16-18-5-1-6-19-16/h1-3,5-6,12H,4,7-11,17H2