Name: Name:9H-Purin-6-aMine, 2-chloro-N-[(4-Methoxyphenyl)Methyl]-9-(1-Methylethyl)-
Brand: Angene
SKU: AG00BF1X
Rating: 90 (10 reviews)

9H-Purin-6-aMine, 2-chloro-N-[(4-Methoxyphenyl)Methyl]-9-(1-Methylethyl)-

CAS No.:

203436-13-9

Catalog Number:

AG00BF1X

Molecular Formula:

C16H18ClN5O

Molecular Weight:

331.8000

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Product Description

Catalog Number:

AG00BF1X

Chemical Name:

9H-Purin-6-aMine, 2-chloro-N-[(4-Methoxyphenyl)Methyl]-9-(1-Methylethyl)-

CAS Number:

203436-13-9

Molecular Formula:

C16H18ClN5O

Molecular Weight:

331.8000

MDL Number:

MFCD28167882

IUPAC Name:

2-chloro-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurin-6-amine

InChI:

InChI=1S/C16H18ClN5O/c1-10(2)22-9-19-13-14(20-16(17)21-15(13)22)18-8-11-4-6-12(23-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,18,20,21)

InChI Key:

PDMSQJKBAMAEQE-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)CNc1nc(Cl)nc2c1ncn2C(C)C

Properties

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.804g/mol

Monoisotopic Mass:

331.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Synthesis, characterization and in vitro cytotoxicity of the first palladium(II) oxalato complexes involving adenine-based ligands.	Journal of inorganic biochemistry 20090701