6-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-N-(4-iodophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C16H19IN6O2 MolecularWeight: 454.26553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN6O2/c1-2-21-7-9-22(10-8-21)16-14(23(24)25)15(18-11-19-16)20-13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19,20)