1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-oxidanylpropylamino)ethanone

Systemtic Name: 1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-oxidanylpropylamino)ethanone Openeye Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-hydroxypropylamino)ethanone CAS Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]-2-(3-hydroxypropylamino)ethanone IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-hydroxypropylamino)ethanone Traditional Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-hydroxypropylamino)ethanone Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)CNCCCO)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1C(CN1C(=O)CNCCCO)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C25H27N7O3/c26-24-22-23(17-7-9-20(10-8-17)35-19-5-2-1-3-6-19)30-32(25(22)29-16-28-24)18-14-31(15-18)21(34)13-27-11-4-12-33/h1-3,5-10,16,18,27,33H,4,11-15H2,(H2,26,28,29)