2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]carbonyl-5-phenylmethoxy-pyran-4-one

Systemtic Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]carbonyl-5-phenylmethoxy-pyran-4-one Openeye Name: 5-benzyloxy-2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]pyran-4-one CAS Name: 2-[[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-oxomethyl]-5-phenylmethoxy-4-pyranone IUPAC Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]pyran-4-one Formula: C30H27N5O7S MolecularWeight: 601.62968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CC(=O)C(=CO5)OCC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CC(=O)C(=CO5)OCC6=CC=CC=C6

InChI

InChI=1S/C30H27N5O7S/c1-43(38,39)23-9-7-21(8-10-23)35-28-24(16-33-35)29(32-19-31-28)42-22-11-13-34(14-12-22)30(37)26-15-25(36)27(18-41-26)40-17-20-5-3-2-4-6-20/h2-10,15-16,18-19,22H,11-14,17H2,1H3