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

Systemtic Name: [4-[6-azanyl-8-[3-(5-methoxypyridin-3-yl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate Openeye Name: [4-[6-amino-8-[3-(5-methoxy-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-methoxy-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester IUPAC Name: [4-[6-amino-8-[3-(5-methoxypyridin-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-methoxy-3-pyridyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester Formula: C25H25N5O4S MolecularWeight: 491.5621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=NCCCN4C(=N3)N)C5=CC=C(C=C5)OS(=O)(=O)C

Isomeric SMILES

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=NCCCN4C(=N3)N)C5=CC=C(C=C5)OS(=O)(=O)C

InChI

InChI=1S/C25H25N5O4S/c1-33-22-14-18(15-27-16-22)17-5-3-6-20(13-17)25(23-28-11-4-12-30(23)24(26)29-25)19-7-9-21(10-8-19)34-35(2,31)32/h3,5-10,13-16H,4,11-12H2,1-2H3,(H2,26,29)