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

Systemtic Name: N-[2-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-methyl-ethenesulfonamide Openeye Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-methyl-ethenesulfonamide CAS Name: N-[2-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-N-methylethenesulfonamide IUPAC Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-methylethenesulfonamide Traditional Name: N-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-methyl-ethenesulfonamide Formula: C22H22N6O3S MolecularWeight: 450.51348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C2=C(C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=NC=N2)N)S(=O)(=O)C=C

Isomeric SMILES

CN(CCN1C2=C(C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=NC=N2)N)S(=O)(=O)C=C

InChI

InChI=1S/C22H22N6O3S/c1-3-32(29,30)27(2)13-14-28-22-19(21(23)24-15-25-22)20(26-28)16-9-11-18(12-10-16)31-17-7-5-4-6-8-17/h3-12,15H,1,13-14H2,2H3,(H2,23,24,25)