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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C18H18N6O4S/c1-28-14-7-3-2-6-13(14)18(25)23-22-17-15(24(26)27)16(20-11-21-17)19-9-8-12-5-4-10-29-12/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H2,19,20,21,22)