Name: Name:5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 7-bromo-2,4-diethoxy-, ethyl ester
Brand: Angene
SKU: AG0029B4
Rating: 90 (10 reviews)

5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 7-bromo-2,4-diethoxy-, ethyl ester

CAS No.:

20419-71-0

Catalog Number:

AG0029B4

Molecular Formula:

C13H16BrN3O4

Molecular Weight:

358.1878

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Product Description

Catalog Number:

AG0029B4

Chemical Name:

5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 7-bromo-2,4-diethoxy-, ethyl ester

CAS Number:

20419-71-0

Molecular Formula:

C13H16BrN3O4

Molecular Weight:

358.1878

MDL Number:

MFCD30590390

IUPAC Name:

ethyl 7-bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate

InChI:

InChI=1S/C13H16BrN3O4/c1-4-19-11-10-8(16-13(17-11)21-6-3)7(14)9(15-10)12(18)20-5-2/h15H,4-6H2,1-3H3

InChI Key:

RENQDYCJFVXIGE-UHFFFAOYSA-N

SMILES:

CCOc1nc(OCC)c2c(n1)c(Br)c([nH]2)C(=O)OCC

NSC Number:

105008

Properties

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

357.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.192g/mol

Monoisotopic Mass:

357.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501