Name: Name:2-(piperazin-1-ylmethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
Brand: Angene
SKU: AG019M7O
Rating: 90 (10 reviews)

2-(piperazin-1-ylmethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:

900640-91-7

Catalog Number:

AG019M7O

Molecular Formula:

C15H16N4OS2

Molecular Weight:

332.4437

Catalog Number:

AG019M7O

Chemical Name:

2-(piperazin-1-ylmethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS Number:

900640-91-7

Molecular Formula:

C15H16N4OS2

Molecular Weight:

332.4437

MDL Number:

MFCD06655575

IUPAC Name:

2-(piperazin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C15H16N4OS2/c20-14-13-10(11-2-1-7-21-11)9-22-15(13)18-12(17-14)8-19-5-3-16-4-6-19/h1-2,7,9,16H,3-6,8H2,(H,17,18,20)

InChI Key:

OADLEHUQERTNMU-UHFFFAOYSA-N

SMILES:

O=c1[nH]c(CN2CCNCC2)nc2c1c(cs2)c1cccs1

Complexity:

467

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.44g/mol

Monoisotopic Mass:

332.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5