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

Systemtic Name: N'-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-4-bromanyl-benzohydrazide Openeye Name: N'-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-4-bromo-benzohydrazide CAS Name: N'-[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-4-bromobenzohydrazide IUPAC Name: N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide Traditional Name: N'-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-4-bromo-benzohydrazide Formula: C17H16BrN7O MolecularWeight: 414.25924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H16BrN7O/c18-13-5-3-12(4-6-13)17(26)25-24-16-14(19)15(22-10-23-16)21-9-11-2-1-7-20-8-11/h1-8,10H,9,19H2,(H,25,26)(H2,21,22,23,24)