Name: Name:2-{5-cyclopropyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile
Brand: Angene
SKU: AG019M78
Rating: 90 (10 reviews)

2-{5-cyclopropyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile

CAS No.:

926199-00-0

Catalog Number:

AG019M78

Molecular Formula:

C11H9N3OS

Molecular Weight:

231.2737

Catalog Number:

AG019M78

Chemical Name:

2-{5-cyclopropyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile

CAS Number:

926199-00-0

Molecular Formula:

C11H9N3OS

Molecular Weight:

231.2737

MDL Number:

MFCD09042124

IUPAC Name:

2-(5-cyclopropyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetonitrile

InChI:

InChI=1S/C11H9N3OS/c12-4-3-8-13-10(15)9-7(6-1-2-6)5-16-11(9)14-8/h5-6H,1-3H2,(H,13,14,15)

InChI Key:

DIKHBTPLVBHUIW-UHFFFAOYSA-N

SMILES:

N#CCc1nc2scc(c2c(=O)[nH]1)C1CC1

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.273g/mol

Monoisotopic Mass:

231.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5