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339279-29-7 | 5-[(5-cyano-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CAS No: 339279-29-7 Catalog No: AG00ITXL MDL No:MFCD01315192
Product Description
Catalog Number:
AG00ITXL
Chemical Name:
5-[(5-cyano-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CAS Number:
339279-29-7
Molecular Formula:
C11H12N6O4
Molecular Weight:
292.2508
MDL Number:
MFCD01315192
IUPAC Name:
5-[(5-cyano-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
InChI:
InChI=1S/C11H12N6O4/c1-16-10(19)6(3-12)4-17(11(16)20)5-7-2-8(15-21-7)9(18)14-13/h4,7H,2,5,13H2,1H3,(H,14,18)
InChI Key:
BTAHEFRCSAPEEN-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(CC2CC(=NO2)C(=O)NN)cc(c1=O)C#N
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.255g/mol
Monoisotopic Mass:
292.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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