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180740-99-2 | Ethanone, 1,1'-[5-[(2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino]-1,3-phenylene]bis-, hydrochloride (1:1)
CAS No: 180740-99-2 Catalog No: AG0022AL MDL No:
Product Description
Catalog Number:
AG0022AL
Chemical Name:
Ethanone, 1,1'-[5-[(2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino]-1,3-phenylene]bis-, hydrochloride (1:1)
CAS Number:
180740-99-2
Molecular Formula:
C16H19ClN4O2
Molecular Weight:
334.8007
IUPAC Name:
1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone;hydrochloride
InChI:
InChI=1S/C16H18N4O2.ClH/c1-9-5-15(19-16(17)20(9)4)18-14-7-12(10(2)21)6-13(8-14)11(3)22;/h5-8H,1-4H3,(H2,17,18,19);1H
InChI Key:
MPCCEBBDYNZILE-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(N=c2cc(C)n(c(n2)N)C)cc(c1)C(=O)C.Cl
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.804g/mol
Monoisotopic Mass:
334.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A new type of metal-binding site in cobalt- and zinc-containing adenylate kinases isolated from sulfate-reducers Desulfovibrio gigas and Desulfovibrio desulfuricans ATCC 27774. | Journal of inorganic biochemistry 20080101 |
| Interaction between tyrosineZ and substrate water in active photosystem II. | Biochimica et biophysica acta 20060701 |
| Identification and functional consequences of a new mutation (E155G) in the gene for GCAP1 that causes autosomal dominant cone dystrophy. | American journal of human genetics 20010901 |
| CNI-H0294, a nuclear importation inhibitor of the human immunodeficiency virus type 1 genome, abrogates virus replication in infected activated peripheral blood mononuclear cells. | Antimicrobial agents and chemotherapy 19980501 |
| Critical role of reverse transcriptase in the inhibitory mechanism of CNI-H0294 on HIV-1 nuclear translocation. | Proceedings of the National Academy of Sciences of the United States of America 19961015 |
| Nuclear localization signal of HIV-1 as a novel target for therapeutic intervention. | Molecular medicine (Cambridge, Mass.) 19950101 |
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