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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O2S/c1-12-2-6-14(7-3-12)24-18-16(10-22-24)17(20-11-21-18)23-13-4-8-15(9-5-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,23)