Name: Name:5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG00IKRS
Rating: 90 (10 reviews)

5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid

CAS No.:

1860028-33-6

Catalog Number:

AG00IKRS

Molecular Formula:

C13H9N3O4S

Molecular Weight:

303.2933

Catalog Number:

AG00IKRS

Chemical Name:

5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid

CAS Number:

1860028-33-6

Molecular Formula:

C13H9N3O4S

Molecular Weight:

303.2933

MDL Number:

MFCD30146467

IUPAC Name:

5-(benzenesulfonyl)pyrrolo[3,2-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C13H9N3O4S/c17-13(18)11-6-10-12(7-14-8-15-10)16(11)21(19,20)9-4-2-1-3-5-9/h1-8H,(H,17,18)

InChI Key:

GQPDVALGSGTSHY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cncn2

Complexity:

498

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.292g/mol

Monoisotopic Mass:

303.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5