AC1Q7CBN structure

AC1Q7CBN

11-bromo-10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile

Also Known As: 7H-Imidazo(1,2-c)pyrrolo(3,2-e)pyrimidine-9-carbonitrile, 8-bromo-7-pentofuranosyl-|7H-Imidazo[1,2-c]pyrrolo[3,2-e]pyrimidine-9-carbonitrile, 8-bromo-7-pentofuranosyl-|8-Bromo-7-pentofuranosyl-7H-imidazo[1,2-c]pyrrolo[3,2-e]pyrimidine-9-carbonitrile|8-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[[?]]pyrrolo[[?]]pyrimidine-9-carbonitrile

CAS: 76867-10-2
Molecular Formula C14H12BrN5O4
Molecular Weight 393.00726 g/mol
LogP 0.7
Topological Polar Surface Area 129.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 2
Exact Mass 393.00726
Monoisotopic Mass 393.00726
Heavy Atoms 24
Complexity 547.0

Chemical Identifiers

CAS Number 76867-10-2
SMILES C1=CN2C=NC3=C(C2=N1)C(=C(N3C4C(C(C(O4)CO)O)O)Br)C#N
InChIKey DZJDCAKSQKLVEF-UHFFFAOYSA-N

Product Overview

AC1Q7CBN (CAS 76867-10-2), with molecular formula C14H12BrN5O4 and molecular weight 393.00726 g/mol. IUPAC: 11-bromo-10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile.

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