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88351-95-5 | 2,4(1H,3H)-Pyrimidinedione, 6-[4-oxo-2-(4-pyridinyl)-3-thiazolidinyl]-
CAS No: 88351-95-5 Catalog No: AG0045SS MDL No:
Product Description
Catalog Number:
AG0045SS
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[4-oxo-2-(4-pyridinyl)-3-thiazolidinyl]-
CAS Number:
88351-95-5
Molecular Formula:
C12H10N4O3S
Molecular Weight:
290.2978
IUPAC Name:
6-(4-oxo-2-pyridin-4-yl-1,3-thiazolidin-3-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H10N4O3S/c17-9-5-8(14-12(19)15-9)16-10(18)6-20-11(16)7-1-3-13-4-2-7/h1-5,11H,6H2,(H2,14,15,17,19)
InChI Key:
ZYZZIQOVOAHJAE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)N1C(=O)CSC1c1ccncc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.297g/mol
Monoisotopic Mass:
290.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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