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

Systemtic Name: 3-chloranyl-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide Formula: C17H15ClN6O3S MolecularWeight: 418.8574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O3S/c18-12-4-1-3-11(9-12)17(25)23-22-16-14(24(26)27)15(20-10-21-16)19-7-6-13-5-2-8-28-13/h1-5,8-10H,6-7H2,(H,23,25)(H2,19,20,21,22)