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35011-47-3 | 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1) (9CI)
CAS No: 35011-47-3 Catalog No: AG00328Z MDL No:MFCD00012785
Product Description
Catalog Number:
AG00328Z
Chemical Name:
4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1) (9CI)
CAS Number:
35011-47-3
Molecular Formula:
C4H9N5O5S
Molecular Weight:
239.2098
MDL Number:
MFCD00012785
IUPAC Name:
sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)
InChI Key:
RSKNEEODWFLVFF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1nc(N)c(c(=O)[nH]1)N
UNII:
9SZ7ZX1H0L
NSC Number:
167378
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
239.206g/mol
Monoisotopic Mass:
239.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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