Name: Name:methyl 2-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate
Brand: Angene
SKU: AG01DUC0
Rating: 90 (10 reviews)

methyl 2-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate

CAS No.:

1311316-89-8

Catalog Number:

AG01DUC0

Molecular Formula:

C8H8N4O3

Molecular Weight:

208.1741

Catalog Number:

AG01DUC0

Chemical Name:

methyl 2-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate

CAS Number:

1311316-89-8

Molecular Formula:

C8H8N4O3

Molecular Weight:

208.1741

MDL Number:

MFCD18483192

IUPAC Name:

methyl 2-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate

InChI:

InChI=1S/C8H8N4O3/c1-15-6(13)3-12-7-5(2-11-12)8(14)10-4-9-7/h2,4H,3H2,1H3,(H,9,10,14)

InChI Key:

XKAREDQMQSXSDQ-UHFFFAOYSA-N

SMILES:

COC(=O)Cn1ncc2c1nc[nH]c2=O

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.177g/mol

Monoisotopic Mass:

208.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2