Name: Name:3-benzyl-6-phenyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
Brand: Angene
SKU: AG019I5V
Rating: 90 (10 reviews)

3-benzyl-6-phenyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

CAS No.:

568555-80-6

Catalog Number:

AG019I5V

Molecular Formula:

C19H14N2OS2

Molecular Weight:

350.4573

Catalog Number:

AG019I5V

Chemical Name:

3-benzyl-6-phenyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

CAS Number:

568555-80-6

Molecular Formula:

C19H14N2OS2

Molecular Weight:

350.4573

MDL Number:

MFCD03982023

IUPAC Name:

3-benzyl-6-phenyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

InChI:

InChI=1S/C19H14N2OS2/c22-18-17-15(11-16(24-17)14-9-5-2-6-10-14)20-19(23)21(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,20,23)

InChI Key:

XVUVTVUDOMMYAD-UHFFFAOYSA-N

SMILES:

Sc1nc2cc(sc2c(=O)n1Cc1ccccc1)c1ccccc1

Complexity:

486

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.454g/mol

Monoisotopic Mass:

350.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4