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94581-93-8 | 6-ethoxy-3-ethyl-1-propyl-1h-pyrimido[5,4-b][1,4]thiazine-2,4,7(3h,6h,8h)-trione 5-oxide
CAS No: 94581-93-8 Catalog No: AG00H5ZY MDL No:
Product Description
Catalog Number:
AG00H5ZY
Chemical Name:
6-ethoxy-3-ethyl-1-propyl-1h-pyrimido[5,4-b][1,4]thiazine-2,4,7(3h,6h,8h)-trione 5-oxide
CAS Number:
94581-93-8
Molecular Formula:
C13H19N3O5S
Molecular Weight:
329.3721
IUPAC Name:
6-ethoxy-3-ethyl-5-oxo-1-propyl-8H-pyrimido[5,4-b][1,4]thiazine-2,4,7-trione
InChI:
InChI=1S/C13H19N3O5S/c1-4-7-16-9-8(11(18)15(5-2)13(16)19)22(20)12(21-6-3)10(17)14-9/h12H,4-7H2,1-3H3,(H,14,17)
InChI Key:
HXQVRLQZGLRBRH-UHFFFAOYSA-N
SMILES:
CCOC1C(=O)Nc2c(S1=O)c(=O)n(c(=O)n2CCC)CC
NSC Number:
70524
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.371g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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