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

Systemtic Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-(3-pyrrolidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-(3-pyrrolidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: N3-(2,6-dimethylphenyl)-N6-phenyl-1-[3-(1-pyrrolidinyl)propyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 3-N-(2,6-dimethylphenyl)-6-N-phenyl-1-(3-pyrrolidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [6-anilino-1-(3-pyrrolidinopropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2,6-dimethylphenyl)amine Formula: C26H31N7 MolecularWeight: 441.57124

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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)CCCN5CCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=CC=C4)CCCN5CCCC5

InChI

InChI=1S/C26H31N7/c1-19-10-8-11-20(2)23(19)29-24-22-18-27-26(28-21-12-4-3-5-13-21)30-25(22)33(31-24)17-9-16-32-14-6-7-15-32/h3-5,8,10-13,18H,6-7,9,14-17H2,1-2H3,(H,29,31)(H,27,28,30)