5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromanyl-phenol

Systemtic Name: 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromanyl-phenol Openeye Name: 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromo-phenol CAS Name: 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-2-bromophenol IUPAC Name: 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol Traditional Name: 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromo-phenol Formula: C14H14BrN5O MolecularWeight: 348.19786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=N1)C3=CC(=C(C=C3)Br)O)C(=NC=N2)N

Isomeric SMILES

CC(C)N1C2=C(C(=N1)C3=CC(=C(C=C3)Br)O)C(=NC=N2)N

InChI

InChI=1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18)