2-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]acetic acid CAS Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidino]acetic acid Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)CC(=O)O

InChI

InChI=1S/C24H24N6O3/c25-23-21-22(16-6-8-19(9-7-16)33-18-4-2-1-3-5-18)28-30(24(21)27-15-26-23)17-10-12-29(13-11-17)14-20(31)32/h1-9,15,17H,10-14H2,(H,31,32)(H2,25,26,27)