actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide

Systemtic Name: actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide Openeye Name: actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide CAS Name: actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)-2-quinazolinyl]amino]phenyl]azanide IUPAC Name: actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide Traditional Name: actinium; [2-cyano-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide Formula: C18H13AcN8- MolecularWeight: 568.377167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=C(C=C3)[NH-])C#N)NC4=CC=NN4.[Ac]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=C(C=C3)[NH-])C#N)NC4=CC=NN4.[Ac]

InChI

InChI=1S/C18H13N8.Ac/c19-10-11-9-12(5-6-14(11)20)22-18-23-15-4-2-1-3-13(15)17(25-18)24-16-7-8-21-26-16;/h1-9,20H,(H3,21,22,23,24,25,26);/q-1;