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33499-05-7 | 3-carbamoyl-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
CAS No: 33499-05-7 Catalog No: AG01DFFW MDL No:
Product Description
Catalog Number:
AG01DFFW
Chemical Name:
3-carbamoyl-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
CAS Number:
33499-05-7
Molecular Formula:
C12H19N3O6S
Molecular Weight:
333.3608
IUPAC Name:
1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide;methyl sulfate
InChI:
InChI=1S/C11H15N3O2.CH4O4S/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9;1-5-6(2,3)4/h6-7H,3-5H2,1-2H3,(H-,12,15);1H3,(H,2,3,4)
InChI Key:
BHCLFQAMBVHTFU-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[n+](C)c2n(c1=O)C(C)CCC2.COS(=O)(=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.359g/mol
Monoisotopic Mass:
333.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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