N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]pyridine-4-carbohydrazide

Systemtic Name: N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C22H18N8O3 MolecularWeight: 442.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H18N8O3/c31-22(17-9-12-23-13-10-17)28-27-20-19(30(32)33)21(26-15-25-20)29(18-8-4-5-11-24-18)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,28,31)(H,25,26,27)