Name: Name:3-butyl-8-(chloromethyl)-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Brand: Angene
SKU: AG019OGS
Rating: 90 (10 reviews)

3-butyl-8-(chloromethyl)-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS No.:

848369-62-0

Catalog Number:

AG019OGS

Molecular Formula:

C11H15ClN4O2

Molecular Weight:

270.7154

Catalog Number:

AG019OGS

Chemical Name:

3-butyl-8-(chloromethyl)-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS Number:

848369-62-0

Molecular Formula:

C11H15ClN4O2

Molecular Weight:

270.7154

MDL Number:

MFCD07323299

IUPAC Name:

3-butyl-8-(chloromethyl)-7-methylpurine-2,6-dione

InChI:

InChI=1S/C11H15ClN4O2/c1-3-4-5-16-9-8(10(17)14-11(16)18)15(2)7(6-12)13-9/h3-6H2,1-2H3,(H,14,17,18)

InChI Key:

IDGLEPAAILVMAZ-UHFFFAOYSA-N

SMILES:

CCCCn1c(=O)[nH]c(=O)c2c1nc(n2C)CCl

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.717g/mol

Monoisotopic Mass:

270.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1