Name: Name:2-benzyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG00I86K
Rating: 90 (10 reviews)

2-benzyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:

421562-28-9

Catalog Number:

AG00I86K

Molecular Formula:

C15H12N2O3S

Molecular Weight:

300.3324

Catalog Number:

AG00I86K

Chemical Name:

2-benzyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

CAS Number:

421562-28-9

Molecular Formula:

C15H12N2O3S

Molecular Weight:

300.3324

MDL Number:

MFCD03030516

IUPAC Name:

2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C15H12N2O3S/c1-8-11-13(18)16-10(7-9-5-3-2-4-6-9)17-14(11)21-12(8)15(19)20/h2-6H,7H2,1H3,(H,19,20)(H,16,17,18)

InChI Key:

DMVRIOBFXVERIW-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)Cc1ccccc1

Complexity:

474

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.332g/mol

Monoisotopic Mass:

300.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5