Name: Name:1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-nitro-
Brand: Angene
SKU: AG002KHB
Rating: 90 (10 reviews)

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-nitro-

CAS No.:

2099-73-2

Catalog Number:

AG002KHB

Molecular Formula:

C7H7N5O4

Molecular Weight:

225.1616

Catalog Number:

AG002KHB

Chemical Name:

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-nitro-

CAS Number:

2099-73-2

Molecular Formula:

C7H7N5O4

Molecular Weight:

225.1616

MDL Number:

MFCD09400563

IUPAC Name:

1,3-dimethyl-8-nitro-7H-purine-2,6-dione

InChI:

InChI=1S/C7H7N5O4/c1-10-4-3(5(13)11(2)7(10)14)8-6(9-4)12(15)16/h1-2H3,(H,8,9)

InChI Key:

ZWBASWPKNUWUSZ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1nc2c([nH]1)n(C)c(=O)n(c2=O)C

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.164g/mol

Monoisotopic Mass:

225.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1