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1781-12-0 | 1H-Pyrimido[5,4-b][1,4]thiazine-2,4,7(3H,6H,8H)-trione, 1,3-dimethyl-
CAS No: 1781-12-0 Catalog No: AG0025RG MDL No:
Product Description
Catalog Number:
AG0025RG
Chemical Name:
1H-Pyrimido[5,4-b][1,4]thiazine-2,4,7(3H,6H,8H)-trione, 1,3-dimethyl-
CAS Number:
1781-12-0
Molecular Formula:
C8H9N3O3S
Molecular Weight:
227.2404
IUPAC Name:
1,3-dimethyl-8H-pyrimido[5,4-b][1,4]thiazine-2,4,7-trione
InChI:
InChI=1S/C8H9N3O3S/c1-10-6-5(15-3-4(12)9-6)7(13)11(2)8(10)14/h3H2,1-2H3,(H,9,12)
InChI Key:
ZSEYUHYQPBVNAN-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)n(C)c(=O)n(c2=O)C
NSC Number:
70466
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.238g/mol
Monoisotopic Mass:
227.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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