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

Systemtic Name: 4-[2-[[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H20N6O2S/c1-14-4-2-3-5-18(14)26-20-17(12-25-26)19(23-13-24-20)22-11-10-15-6-8-16(9-7-15)29(21,27)28/h2-9,12-13H,10-11H2,1H3,(H2,21,27,28)(H,22,23,24)