4-[3-[(2,6-dimethylphenyl)amino]-6-phenylazanyl-pyrazolo[3,4-d]pyrimidin-1-yl]butan-2-ol

Systemtic Name: 4-[3-[(2,6-dimethylphenyl)amino]-6-phenylazanyl-pyrazolo[3,4-d]pyrimidin-1-yl]butan-2-ol Openeye Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-2-ol CAS Name: 4-[6-anilino-3-(2,6-dimethylanilino)-1-pyrazolo[3,4-d]pyrimidinyl]-2-butanol IUPAC Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-2-ol Traditional Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-2-ol Formula: C23H26N6O MolecularWeight: 402.49214

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O/c1-15-8-7-9-16(2)20(15)26-21-19-14-24-23(25-18-10-5-4-6-11-18)27-22(19)29(28-21)13-12-17(3)30/h4-11,14,17,30H,12-13H2,1-3H3,(H,26,28)(H,24,25,27)