N6-(2-dimethylaminoethyl)-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(2-dimethylaminoethyl)-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(2-dimethylaminoethyl)-N4-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(2-dimethylaminoethyl)-N4-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-dimethylaminoethyl)-4-N-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 2-[[4-(3-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethyl-dimethyl-amine Formula: C21H22FN7 MolecularWeight: 391.444683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

Isomeric SMILES

CN(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN7/c1-28(2)12-11-23-21-26-19(25-16-8-6-7-15(22)13-16)18-14-24-29(20(18)27-21)17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25,26,27)