[3-[8-azanyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[8-azanyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [3-[8-amino-1-(2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[8-amino-1-(2-phenyl-7-quinolinyl)-3-imidazo[1,5-a]pyrazinyl]cyclobutyl]methyl ester IUPAC Name: [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[8-amino-1-(2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl ester Formula: C33H29N5O3S MolecularWeight: 575.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C2)C3=NC(=C4N3C=CN=C4N)C5=CC6=C(C=C5)C=CC(=N6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C2)C3=NC(=C4N3C=CN=C4N)C5=CC6=C(C=C5)C=CC(=N6)C7=CC=CC=C7

InChI

InChI=1S/C33H29N5O3S/c1-21-7-12-27(13-8-21)42(39,40)41-20-22-17-26(18-22)33-37-30(31-32(34)35-15-16-38(31)33)25-10-9-24-11-14-28(36-29(24)19-25)23-5-3-2-4-6-23/h2-16,19,22,26H,17-18,20H2,1H3,(H2,34,35)