N6-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-methylsulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-methylsulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-N4-(2-methylsulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-[5-methyl-4-(4-piperidinyl)-2-propan-2-yloxyphenyl]-N4-(2-methylsulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-methylsulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [6-[2-isopropoxy-5-methyl-4-(4-piperidyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-(2-mesylphenyl)amine Formula: C27H33N7O3S MolecularWeight: 535.66102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C=NN4)C(=N3)NC5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C=NN4)C(=N3)NC5=CC=CC=C5S(=O)(=O)C

InChI

InChI=1S/C27H33N7O3S/c1-16(2)37-23-14-19(18-9-11-28-12-10-18)17(3)13-22(23)31-27-32-25(20-15-29-34-26(20)33-27)30-21-7-5-6-8-24(21)38(4,35)36/h5-8,13-16,18,28H,9-12H2,1-4H3,(H3,29,30,31,32,33,34)