N-[2-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethenesulfonamide

Systemtic Name: N-[2-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethenesulfonamide Openeye Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethenesulfonamide CAS Name: N-[2-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]ethenesulfonamide IUPAC Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethenesulfonamide Traditional Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethenesulfonamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)NCCN1C2=C(C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=NC=N2)N

Isomeric SMILES

C=CS(=O)(=O)NCCN1C2=C(C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=NC=N2)N

InChI

InChI=1S/C21H20N6O3S/c1-2-31(28,29)25-12-13-27-21-18(20(22)23-14-24-21)19(26-27)15-8-10-17(11-9-15)30-16-6-4-3-5-7-16/h2-11,14,25H,1,12-13H2,(H2,22,23,24)