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

Systemtic Name: 4-[3-[(2,6-dimethylphenyl)amino]-6-phenylazanyl-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidin-1-yl-butan-2-ol Openeye Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidin-1-yl-butan-2-ol CAS Name: 4-[6-anilino-3-(2,6-dimethylanilino)-1-pyrazolo[3,4-d]pyrimidinyl]-1-(1-pyrrolidinyl)-2-butanol IUPAC Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidin-1-ylbutan-2-ol Traditional Name: 4-[6-anilino-3-(2,6-dimethylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidino-butan-2-ol Formula: C27H33N7O MolecularWeight: 471.59722

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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(CN5CCCC5)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NN(C3=NC(=NC=C23)NC4=CC=CC=C4)CCC(CN5CCCC5)O

InChI

InChI=1S/C27H33N7O/c1-19-9-8-10-20(2)24(19)30-25-23-17-28-27(29-21-11-4-3-5-12-21)31-26(23)34(32-25)16-13-22(35)18-33-14-6-7-15-33/h3-5,8-12,17,22,35H,6-7,13-16,18H2,1-2H3,(H,30,32)(H,28,29,31)