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157327-51-0 | 5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-, hydrochloride (1:2)
CAS No: 157327-51-0 Catalog No: AG001PDF MDL No:MFCD11846189
Product Description
Catalog Number:
AG001PDF
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-, hydrochloride (1:2)
CAS Number:
157327-51-0
Molecular Formula:
C6H9Cl2N3
Molecular Weight:
194.0618
MDL Number:
MFCD11846189
IUPAC Name:
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrochloride
InChI:
InChI=1S/C6H7N3.2ClH/c1-5-2-8-4-9-6(5)3-7-1;;/h2,4,7H,1,3H2;2*1H
InChI Key:
VGQSNQPVXPPLEH-UHFFFAOYSA-N
SMILES:
n1cnc2c(c1)CNC2.Cl.Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.059g/mol
Monoisotopic Mass:
193.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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