N3-(2,6-dimethylphenyl)-N6-phenyl-1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

Systemtic Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-[3-(1-piperidyl)propyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-[3-(1-piperidinyl)propyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 3-N-(2,6-dimethylphenyl)-6-N-phenyl-1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [6-anilino-1-(3-piperidinopropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2,6-dimethylphenyl)amine Formula: C27H33N7 MolecularWeight: 455.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=CC=C4)CCCN5CCCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=CC=C4)CCCN5CCCCC5

InChI

InChI=1S/C27H33N7/c1-20-11-9-12-21(2)24(20)30-25-23-19-28-27(29-22-13-5-3-6-14-22)31-26(23)34(32-25)18-10-17-33-15-7-4-8-16-33/h3,5-6,9,11-14,19H,4,7-8,10,15-18H2,1-2H3,(H,30,32)(H,28,29,31)