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1255099-03-6 | 5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-2-methoxy-, hydrochloride (1:2)
CAS No: 1255099-03-6 Catalog No: AG000NRJ MDL No:
Product Description
Catalog Number:
AG000NRJ
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-2-methoxy-, hydrochloride (1:2)
CAS Number:
1255099-03-6
Molecular Formula:
C7H11Cl2N3O
Molecular Weight:
224.0877
IUPAC Name:
2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrochloride
InChI:
InChI=1S/C7H9N3O.2ClH/c1-11-7-9-3-5-2-8-4-6(5)10-7;;/h3,8H,2,4H2,1H3;2*1H
InChI Key:
PUMWCFTYEHGGEU-UHFFFAOYSA-N
SMILES:
COc1ncc2c(n1)CNC2.Cl.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.085g/mol
Monoisotopic Mass:
223.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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