2-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-N-isopropyl-acetamide Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

CC(C)NC(=O)CN1CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C25H27N7O2/c1-16(2)29-21(33)14-31-12-18(13-31)32-25-22(24(26)27-15-28-25)23(30-32)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h3-11,15-16,18H,12-14H2,1-2H3,(H,29,33)(H2,26,27,28)