N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-N6-phenyl-pyrazolo[3,4-d]pyrimidine-3,6-diamine

Systemtic Name: N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-N6-phenyl-pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-N6-phenyl-pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N6-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 3-N-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [6-anilino-1-(3-methoxy-3-methyl-butyl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2,6-dimethylphenyl)amine Formula: C25H30N6O MolecularWeight: 430.5453

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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)CCC(C)(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29)