Name: Name:8-chloro-1,3,7-triMethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Brand: Angene
SKU: AG00E04D
Rating: 90 (10 reviews)

8-chloro-1,3,7-triMethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

CAS No.:

4921-55-5

Catalog Number:

AG00E04D

Molecular Formula:

C7H7ClN4O2

Molecular Weight:

214.6091

Catalog Number:

AG00E04D

Chemical Name:

8-chloro-1,3,7-triMethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

CAS Number:

4921-55-5

Molecular Formula:

C7H7ClN4O2

Molecular Weight:

214.6091

MDL Number:

MFCD00224907

IUPAC Name:

8-chloro-3,7-dimethylpurine-2,6-dione

InChI:

InChI=1S/C7H7ClN4O2/c1-11-3-4(9-6(11)8)12(2)7(14)10-5(3)13/h1-2H3,(H,10,13,14)

InChI Key:

VCVIDOJQNAGADO-UHFFFAOYSA-N

SMILES:

Cn1c(Cl)nc2c1c(=O)[nH]c(=O)n2C

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.609g/mol

Monoisotopic Mass:

214.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2