Name: Name:2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile
Brand: Angene
SKU: AG019P74
Rating: 90 (10 reviews)

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

CAS No.:

926232-10-2

Catalog Number:

AG019P74

Molecular Formula:

C14H9N3OS

Molecular Weight:

267.3058

Catalog Number:

AG019P74

Chemical Name:

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

CAS Number:

926232-10-2

Molecular Formula:

C14H9N3OS

Molecular Weight:

267.3058

MDL Number:

MFCD09041963

IUPAC Name:

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

InChI:

InChI=1S/C14H9N3OS/c15-7-6-11-16-13(18)12-10(8-19-14(12)17-11)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,16,17,18)

InChI Key:

LDFFAIAPGIFPJQ-UHFFFAOYSA-N

SMILES:

N#CCc1nc2scc(c2c(=O)[nH]1)c1ccccc1

Complexity:

447

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.306g/mol

Monoisotopic Mass:

267.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2