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

Systemtic Name: 2-[2-[[4-azanyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCOCCO)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCOCCO)N)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O4/c21-18-17(26(28)29)19(24-20(23-18)22-8-12-30-13-11-27)25-9-6-16(7-10-25)14-15-4-2-1-3-5-15/h1-5,16,27H,6-14H2,(H3,21,22,23,24)