Name: Name:9H-Purin-6-aMine, 2-chloro-N-[(4-Methoxyphenyl)Methyl]-
Brand: Angene
SKU: AG00BF1W
Rating: 90 (10 reviews)

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

CAS No.:

203436-09-3

Catalog Number:

AG00BF1W

Molecular Formula:

C13H12ClN5O

Molecular Weight:

289.7203

Catalog Number:

AG00BF1W

Chemical Name:

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

CAS Number:

203436-09-3

Molecular Formula:

C13H12ClN5O

Molecular Weight:

289.7203

MDL Number:

MFCD08750569

IUPAC Name:

2-chloro-N-[(4-methoxyphenyl)methyl]-7H-purin-6-amine

InChI:

InChI=1S/C13H12ClN5O/c1-20-9-4-2-8(3-5-9)6-15-11-10-12(17-7-16-10)19-13(14)18-11/h2-5,7H,6H2,1H3,(H2,15,16,17,18,19)

InChI Key:

UHQWIUXGLBJTRI-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)CNc1nc(Cl)nc2c1nc[nH]2

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.723g/mol

Monoisotopic Mass:

289.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8