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

Systemtic Name: 2-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 2-nitro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide CAS Name: 2-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 2-nitro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide Formula: C17H15N7O5S MolecularWeight: 429.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O5S/c25-17(12-5-1-2-6-13(12)23(26)27)22-21-16-14(24(28)29)15(19-10-20-16)18-8-7-11-4-3-9-30-11/h1-6,9-10H,7-8H2,(H,22,25)(H2,18,19,20,21)