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

Systemtic Name: 2-[4-[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(2-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O3/c18-14-4-2-1-3-13(14)11-19-16-15(24(26)27)17(21-12-20-16)23-7-5-22(6-8-23)9-10-25/h1-4,12,25H,5-11H2,(H,19,20,21)