4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyrimidin-5-ylamino)methylidene]amino]-2,2-dimethyl-propyl]-2-fluoranyl-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyrimidin-5-ylamino)methylidene]amino]-2,2-dimethyl-propyl]-2-fluoranyl-benzamide Openeye Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(pyrimidin-5-ylamino)methylene]amino]-2,2-dimethyl-propyl]-2-fluoro-benzamide CAS Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(5-pyrimidinylamino)methylidene]amino]-2,2-dimethylpropyl]-2-fluorobenzamide IUPAC Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(pyrimidin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-fluorobenzamide Traditional Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(5-pyrimidylamino)methylene]amino]-2,2-dimethyl-propyl]-2-fluoro-benzamide Formula: C18H19ClFN7O MolecularWeight: 403.841163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(NC(=O)C1=C(C=C(C=C1)Cl)F)N=C(NC#N)NC2=CN=CN=C2

Isomeric SMILES

CC(C)(C)C(NC(=O)C1=C(C=C(C=C1)Cl)F)/N=C(/NC#N)\NC2=CN=CN=C2

InChI

InChI=1S/C18H19ClFN7O/c1-18(2,3)16(26-15(28)13-5-4-11(19)6-14(13)20)27-17(24-9-21)25-12-7-22-10-23-8-12/h4-8,10,16H,1-3H3,(H,26,28)(H2,24,25,27)