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94216-16-7 | 3-ethyl-1-(2-hydroxyethyl)-1h-pyrimido[5,4-b][1,4]thiazine-2,4,7(3h,6h,8h)-trione
CAS No: 94216-16-7 Catalog No: AG005SJM MDL No:
Product Description
Catalog Number:
AG005SJM
Chemical Name:
3-ethyl-1-(2-hydroxyethyl)-1h-pyrimido[5,4-b][1,4]thiazine-2,4,7(3h,6h,8h)-trione
CAS Number:
94216-16-7
Molecular Formula:
C10H13N3O4S
Molecular Weight:
271.2929
IUPAC Name:
3-ethyl-1-(2-hydroxyethyl)-8H-pyrimido[5,4-b][1,4]thiazine-2,4,7-trione
InChI:
InChI=1S/C10H13N3O4S/c1-2-12-9(16)7-8(11-6(15)5-18-7)13(3-4-14)10(12)17/h14H,2-5H2,1H3,(H,11,15)
InChI Key:
BWCXKIPRNSKJIN-UHFFFAOYSA-N
SMILES:
OCCn1c2NC(=O)CSc2c(=O)n(c1=O)CC
NSC Number:
70486
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.291g/mol
Monoisotopic Mass:
271.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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