[4-[6-azanyl-8-[3-(5-fluoranylpyridin-3-yl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate

Systemtic Name: [4-[6-azanyl-8-[3-(5-fluoranylpyridin-3-yl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate Openeye Name: [4-[6-amino-8-[3-(5-fluoro-3-pyridyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-amino-8-[3-(5-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester IUPAC Name: [4-[6-amino-8-[3-(5-fluoropyridin-3-yl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-amino-8-[3-(5-fluoro-3-pyridyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester Formula: C24H22FN5O3S MolecularWeight: 479.526583

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C2(C3=NCCCN3C(=N2)N)C4=CC=CC(=C4)C5=CC(=CN=C5)F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2(C3=NCCCN3C(=N2)N)C4=CC=CC(=C4)C5=CC(=CN=C5)F

InChI

InChI=1S/C24H22FN5O3S/c1-34(31,32)33-21-8-6-18(7-9-21)24(22-28-10-3-11-30(22)23(26)29-24)19-5-2-4-16(12-19)17-13-20(25)15-27-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,26,29)