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

Systemtic Name: 2-[2-[[4-azanyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C19H27N7O4 MolecularWeight: 417.46218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCOCCO)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCOCCO)N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N7O4/c20-17-16(26(28)29)18(23-19(22-17)21-6-12-30-13-11-27)25-9-7-24(8-10-25)14-15-4-2-1-3-5-15/h1-5,27H,6-14H2,(H3,20,21,22,23)