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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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