4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C19H18N6O2S/c1-12-3-8-17(13(2)9-12)25-19-16(10-23-25)18(21-11-22-19)24-14-4-6-15(7-5-14)28(20,26)27/h3-11H,1-2H3,(H2,20,26,27)(H,21,22,24)