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

Systemtic Name: 5-(4-azanyl-1-butan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methyl-phenol Openeye Name: 5-(4-amino-1-sec-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methyl-phenol CAS Name: 5-(4-amino-1-butan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-2-methylphenol IUPAC Name: 5-(4-amino-1-butan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol Traditional Name: 5-(4-amino-1-sec-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methyl-phenol Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O/c1-4-10(3)21-16-13(15(17)18-8-19-16)14(20-21)11-6-5-9(2)12(22)7-11/h5-8,10,22H,4H2,1-3H3,(H2,17,18,19)