4-methoxy-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-methoxy-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-methoxy-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 4-methoxy-N'-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-methoxy-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-methoxy-N'-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]benzohydrazide Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N7O4/c1-29-14-6-4-13(5-7-14)18(26)24-23-17-15(25(27)28)16(21-11-22-17)20-10-12-3-2-8-19-9-12/h2-9,11H,10H2,1H3,(H,24,26)(H2,20,21,22,23)