N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methanesulfonamide Formula: C18H15ClN6O2S MolecularWeight: 414.8687

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H15ClN6O2S/c1-28(26,27)25-13-7-5-11(6-8-13)16-15-17(20-10-21-18(15)24-23-16)22-14-4-2-3-12(19)9-14/h2-10,25H,1H3,(H2,20,21,22,23,24)