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

Systemtic Name: 2-[4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N7O3/c29-15-14-24-6-10-26(11-7-24)20-19(28(30)31)21(23-17-22-20)27-12-8-25(9-13-27)16-18-4-2-1-3-5-18/h1-5,17,29H,6-16H2