N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N7O4/c26-15(11-29-14-6-2-1-3-7-14)23-24-18-16(25(27)28)17(21-12-22-18)20-10-13-5-4-8-19-9-13/h1-9,12H,10-11H2,(H,23,26)(H2,20,21,22,24)