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

Systemtic Name: methyl 4-[2-azanyl-1-methyl-5-oxidanylidene-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoranylethyl)pyrrole-2-carboxylate Openeye Name: methyl 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate CAS Name: 4-[2-amino-1-methyl-5-oxo-4-[3-(5-pyrimidinyl)phenyl]-4-imidazolyl]-1-(2-fluoroethyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate Traditional Name: 4-[2-amino-5-keto-1-methyl-4-[3-(5-pyrimidyl)phenyl]-2-imidazolin-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylic acid methyl ester Formula: C22H21FN6O3 MolecularWeight: 436.438943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN6O3/c1-28-20(31)22(27-21(28)24,17-9-18(19(30)32-2)29(12-17)7-6-23)16-5-3-4-14(8-16)15-10-25-13-26-11-15/h3-5,8-13H,6-7H2,1-2H3,(H2,24,27)