[4-[2-azanyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-5-oxidanylidene-1-propyl-imidazol-4-yl]phenyl] methanesulfonate

Systemtic Name: [4-[2-azanyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-5-oxidanylidene-1-propyl-imidazol-4-yl]phenyl] methanesulfonate Openeye Name: [4-[2-amino-4-(4-fluoro-3-pyrimidin-5-yl-phenyl)-5-oxo-1-propyl-imidazol-4-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-amino-4-[4-fluoro-3-(5-pyrimidinyl)phenyl]-5-oxo-1-propyl-4-imidazolyl]phenyl] ester IUPAC Name: [4-[2-amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-oxo-1-propylimidazol-4-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-amino-4-[4-fluoro-3-(5-pyrimidyl)phenyl]-5-keto-1-propyl-2-imidazolin-4-yl]phenyl] ester Formula: C23H22FN5O4S MolecularWeight: 483.515283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

Isomeric SMILES

CCCN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

InChI

InChI=1S/C23H22FN5O4S/c1-3-10-29-21(30)23(28-22(29)25,16-4-7-18(8-5-16)33-34(2,31)32)17-6-9-20(24)19(11-17)15-12-26-14-27-13-15/h4-9,11-14H,3,10H2,1-2H3,(H2,25,28)