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13931-24-3 | 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-, hydrochloride (1:1)
CAS No: 13931-24-3 Catalog No: AG001AQJ MDL No:MFCD11616742
Product Description
Catalog Number:
AG001AQJ
Chemical Name:
1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-, hydrochloride (1:1)
CAS Number:
13931-24-3
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD11616742
IUPAC Name:
1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione;hydrochloride
InChI:
InChI=1S/C6H7N3O2.ClH/c10-5-3-1-7-2-4(3)8-6(11)9-5;/h7H,1-2H2,(H2,8,9,10,11);1H
InChI Key:
UNBWJSIPXMRYCE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c2c1CNC2.Cl
NSC Number:
116520
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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