1-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-yn-1-one

Systemtic Name: 1-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-yn-1-one Openeye Name: 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]prop-2-yn-1-one CAS Name: 1-[4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propyn-1-one IUPAC Name: 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-yn-1-one Traditional Name: 1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidino]prop-2-yn-1-one Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C#CC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C25H22N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h1,3-11,16,18H,12-15H2,(H2,26,27,28)