4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzaldehyde

Systemtic Name: 4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzaldehyde Openeye Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzaldehyde CAS Name: 4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]benzaldehyde IUPAC Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzaldehyde Traditional Name: 4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzaldehyde Formula: C24H17N5O2 MolecularWeight: 407.42408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5=CC=C(C=C5)C=O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5=CC=C(C=C5)C=O

InChI

InChI=1S/C24H17N5O2/c25-23-21-22(17-8-12-20(13-9-17)31-19-4-2-1-3-5-19)28-29(24(21)27-15-26-23)18-10-6-16(14-30)7-11-18/h1-15H,(H2,25,26,27)