2-[4-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazino]ethanol Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O5/c24-9-8-20-4-6-21(7-5-20)16-14(23(27)28)15(17-11-18-16)19-12-2-1-3-13(10-12)22(25)26/h1-3,10-11,24H,4-9H2,(H,17,18,19)