Name: Name:2-amino-8-(3-chlorophenyl)-6,9-dihydro-1H-purin-6-one
Brand: Angene
SKU: AG01AM79
Rating: 90 (10 reviews)

2-amino-8-(3-chlorophenyl)-6,9-dihydro-1H-purin-6-one

CAS No.:

857524-98-2

Catalog Number:

AG01AM79

Molecular Formula:

C11H8ClN5O

Molecular Weight:

261.6671

Catalog Number:

AG01AM79

Chemical Name:

2-amino-8-(3-chlorophenyl)-6,9-dihydro-1H-purin-6-one

CAS Number:

857524-98-2

Molecular Formula:

C11H8ClN5O

Molecular Weight:

261.6671

MDL Number:

MFCD21044107

IUPAC Name:

2-amino-8-(3-chlorophenyl)-1,7-dihydropurin-6-one

InChI:

InChI=1S/C11H8ClN5O/c12-6-3-1-2-5(4-6)8-14-7-9(15-8)16-11(13)17-10(7)18/h1-4H,(H4,13,14,15,16,17,18)

InChI Key:

PMHNHEHJMVYTCN-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)c1[nH]c2c(n1)c(=O)[nH]c(n2)N

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.669g/mol

Monoisotopic Mass:

261.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2