2-(4-ethylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: 2-(4-ethylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 2-(4-ethyl-1-piperazinyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 2-(4-ethylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H21N7O2/c1-2-21-8-10-22(11-9-21)16-19-14(17)13(23(24)25)15(20-16)18-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H3,17,18,19,20)