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

Systemtic Name: N3-(2,6-dimethylphenyl)-N6-(4-piperazin-1-ylphenyl)-1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: N3-(2,6-dimethylphenyl)-N6-(4-piperazin-1-ylphenyl)-1-[3-(1-piperidyl)propyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: N3-(2,6-dimethylphenyl)-N6-[4-(1-piperazinyl)phenyl]-1-[3-(1-piperidinyl)propyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 3-N-(2,6-dimethylphenyl)-6-N-(4-piperazin-1-ylphenyl)-1-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [3-(2,6-dimethylanilino)-1-(3-piperidinopropyl)pyrazolo[3,4-d]pyrimidin-6-yl]-(4-piperazinophenyl)amine Formula: C31H41N9 MolecularWeight: 539.71754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=C(C=C4)N5CCNCC5)CCCN6CCCCC6

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=C(C=C4)N5CCNCC5)CCCN6CCCCC6

InChI

InChI=1S/C31H41N9/c1-23-8-6-9-24(2)28(23)35-29-27-22-33-31(34-25-10-12-26(13-11-25)39-20-14-32-15-21-39)36-30(27)40(37-29)19-7-18-38-16-4-3-5-17-38/h6,8-13,22,32H,3-5,7,14-21H2,1-2H3,(H,35,37)(H,33,34,36)