Name: Name:1H-Purine-2,6-dione,8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
Brand: Angene
SKU: AG00IDMN
Rating: 90 (10 reviews)

1H-Purine-2,6-dione,8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-

CAS No.:

853029-57-9

Catalog Number:

AG00IDMN

Molecular Formula:

C20H17BrN6O2

Molecular Weight:

453.2920

Catalog Number:

AG00IDMN

Chemical Name:

1H-Purine-2,6-dione,8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-

CAS Number:

853029-57-9

Molecular Formula:

C20H17BrN6O2

Molecular Weight:

453.2920

MDL Number:

MFCD18642578

IUPAC Name:

8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

InChI:

InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3

InChI Key:

RCZJXCXNYGHNSR-UHFFFAOYSA-N

SMILES:

CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C

EC Number:

922-028-0

Complexity:

735

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

452.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

453.3g/mol

Monoisotopic Mass:

452.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9