4-[2-azanyl-1-methyl-5-oxidanylidene-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoranylethyl)pyrrole-2-carbonitrile

Systemtic Name: 4-[2-azanyl-1-methyl-5-oxidanylidene-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoranylethyl)pyrrole-2-carbonitrile Openeye Name: 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile CAS Name: 4-[2-amino-1-methyl-5-oxo-4-[3-(5-pyrimidinyl)phenyl]-4-imidazolyl]-1-(2-fluoroethyl)-2-pyrrolecarbonitrile IUPAC Name: 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile Traditional Name: 4-[2-amino-5-keto-1-methyl-4-[3-(5-pyrimidyl)phenyl]-2-imidazolin-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile Formula: C21H18FN7O MolecularWeight: 403.412323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC=CC(=C2)C3=CN=CN=C3)C4=CN(C(=C4)C#N)CCF

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC=CC(=C2)C3=CN=CN=C3)C4=CN(C(=C4)C#N)CCF

InChI

InChI=1S/C21H18FN7O/c1-28-19(30)21(27-20(28)24,17-8-18(9-23)29(12-17)6-5-22)16-4-2-3-14(7-16)15-10-25-13-26-11-15/h2-4,7-8,10-13H,5-6H2,1H3,(H2,24,27)