1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-benzyl-1-tert-butyl-6-(4-pyridyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-benzyl-1-tert-butyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-benzyl-1-tert-butyl-6-(4-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC=C3)C(=NC(=N2)C4=CC=NC=C4)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC=C3)C(=NC(=N2)C4=CC=NC=C4)N

InChI

InChI=1S/C21H22N6/c1-21(2,3)27-20-17(16(26-27)13-14-7-5-4-6-8-14)18(22)24-19(25-20)15-9-11-23-12-10-15/h4-12H,13H2,1-3H3,(H2,22,24,25)