1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzyl-1-tert-butyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-benzyl-1-tert-butyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-benzyl-1-tert-butyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)26-19-17(16(25-26)13-14-7-5-4-6-8-14)20(27)24-18(23-19)15-9-11-22-12-10-15/h4-12,25H,13H2,1-3H3