N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C18H18N6O4S/c25-15(11-28-13-5-2-1-3-6-13)22-23-18-16(24(26)27)17(20-12-21-18)19-9-8-14-7-4-10-29-14/h1-7,10,12H,8-9,11H2,(H,22,25)(H2,19,20,21,23)