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

Systemtic Name: 2-[4-[6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3-chloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3-chloroanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O3/c17-12-2-1-3-13(10-12)20-15-14(23(25)26)16(19-11-18-15)22-6-4-21(5-7-22)8-9-24/h1-3,10-11,24H,4-9H2,(H,18,19,20)