4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Formula: C18H16N6O2S MolecularWeight: 380.42364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H16N6O2S/c19-27(25,26)15-8-6-13(7-9-15)10-20-17-16-11-23-24(18(16)22-12-21-17)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,19,25,26)(H,20,21,22)