2-[(4-azanyl-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(4-azanyl-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(4-amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(4-amino-3-cyano-1-pyrazolo[3,4-d]pyrimidinyl)methoxy]ethyl ester IUPAC Name: 2-[(4-amino-3-cyanopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(4-amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl ester Formula: C11H12N6O3 MolecularWeight: 276.25138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C2=C(C(=N1)C#N)C(=NC=N2)N

Isomeric SMILES

CC(=O)OCCOCN1C2=C(C(=N1)C#N)C(=NC=N2)N

InChI

InChI=1S/C11H12N6O3/c1-7(18)20-3-2-19-6-17-11-9(8(4-12)16-17)10(13)14-5-15-11/h5H,2-3,6H2,1H3,(H2,13,14,15)