2-[4-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(6-anilino-5-nitro-pyrimidin-4-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(6-anilino-5-nitro-4-pyrimidinyl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(6-anilino-5-nitropyrimidin-4-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(6-anilino-5-nitro-pyrimidin-4-yl)piperazino]ethanol Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c23-11-10-20-6-8-21(9-7-20)16-14(22(24)25)15(17-12-18-16)19-13-4-2-1-3-5-13/h1-5,12,23H,6-11H2,(H,17,18,19)