[4-[6-azanyl-8-(3-pyrazin-2-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate; ethanoic acid

Systemtic Name: [4-[6-azanyl-8-(3-pyrazin-2-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate; ethanoic acid Openeye Name: acetic acid; [4-[6-amino-8-(3-pyrazin-2-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate CAS Name: acetic acid; methanesulfonic acid [4-[6-amino-8-[3-(2-pyrazinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester IUPAC Name: acetic acid; [4-[6-amino-8-(3-pyrazin-2-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate Traditional Name: acetic acid; methanesulfonic acid [4-[6-amino-8-(3-pyrazin-2-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] ester Formula: C25H26N6O5S MolecularWeight: 522.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O3S.C2H4O2/c1-33(30,31)32-19-8-6-17(7-9-19)23(21-27-10-3-13-29(21)22(24)28-23)18-5-2-4-16(14-18)20-15-25-11-12-26-20;1-2(3)4/h2,4-9,11-12,14-15H,3,10,13H2,1H3,(H2,24,28);1H3,(H,3,4)