[3-[2-azanyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate

Systemtic Name: [3-[2-azanyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate Openeye Name: [3-[2-amino-4-(4-fluoro-3-pyrimidin-5-yl-phenyl)-1-methyl-5-oxo-imidazol-4-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-[2-amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [3-[2-amino-4-[4-fluoro-3-(5-pyrimidyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C23H22FN5O4S MolecularWeight: 483.515283

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=CC(=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=CC(=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

InChI

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