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114987-19-8 | 2(1H)-Pyrimidinone, 4-amino-1-(4-hydroxy-1,2-butadien-1-yl)-
CAS No: 114987-19-8 Catalog No: AG000FJF MDL No:
Product Description
Catalog Number:
AG000FJF
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-1-(4-hydroxy-1,2-butadien-1-yl)-
CAS Number:
114987-19-8
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
(1E)-1-(4-hydroxybut-2-enylidene)-4-iminopyrimidin-1-ium-2-olate
InChI:
InChI=1S/C8H9N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h1-5,12H,6H2,(H-,9,10,13)/b2-1?,11-4+
InChI Key:
GHTIVOZHSNRAAW-JZXVYGCJSA-N
SMILES:
Nc1ccn(c(=O)n1)C=C=CCO
NSC Number:
626923
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Inhibition of replication of hepatitis B virus by cytallene in vitro. | Antimicrobial agents and chemotherapy 19970801 |
| Synthesis, absolute configuration, and enantioselectivity of antiretroviral effect of (R)-(-)- and (S)-(+)-cytallene. Lipase-catalyzed enantioselective acylations of (+/-)-N4-acylcytallenes. | Journal of medicinal chemistry 19950414 |
| Substrate specificity of human deoxycytidine kinase toward antiviral 2',3'-dideoxynucleoside analogs. | Biochemical pharmacology 19920122 |
| Adenallene and cytallene: acyclic-nucleoside analogues that inhibit replication and cytopathic effect of human immunodeficiency virus in vitro. | Proceedings of the National Academy of Sciences of the United States of America 19880801 |
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