N'-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-4-bromanyl-benzohydrazide

Systemtic Name: N'-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-4-bromanyl-benzohydrazide Openeye Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-bromo-benzohydrazide CAS Name: N'-[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-4-bromobenzohydrazide IUPAC Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide Traditional Name: N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-4-bromo-benzohydrazide Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C21H23BrN6O/c1-2-3-4-14-5-11-17(12-6-14)26-19-18(23)20(25-13-24-19)27-28-21(29)15-7-9-16(22)10-8-15/h5-13H,2-4,23H2,1H3,(H,28,29)(H2,24,25,26,27)