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72596-74-8 | 6H-6-IMINO-(2,3,4,5-TETRAHYDROPYRIMIDO)[1,2-C]-[1,3]BENZOTHIAZINE
CAS No: 72596-74-8 Catalog No: AG00FRPV MDL No:
Product Description
Catalog Number:
AG00FRPV
Chemical Name:
6H-6-IMINO-(2,3,4,5-TETRAHYDROPYRIMIDO)[1,2-C]-[1,3]BENZOTHIAZINE
CAS Number:
72596-74-8
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
IUPAC Name:
3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
InChI:
InChI=1S/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2
InChI Key:
JNENSSREQFBZGT-UHFFFAOYSA-N
SMILES:
N=c1sc2ccccc2c2=NCCCn12
UNII:
3PYK7K517E
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| A combination microbicide gel protects macaques against vaginal simian human immunodeficiency virus-reverse transcriptase infection, but only partially reduces herpes simplex virus-2 infection after a single high-dose cochallenge. | AIDS research and human retroviruses 20140201 |
| Evaluation of PD 404,182 as an anti-HIV and anti-herpes simplex virus microbicide. | Antimicrobial agents and chemotherapy 20140201 |
| Structure-activity relationship study of pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives for potent anti-HIV agents. | Bioorganic & medicinal chemistry 20121101 |
| Concise synthesis and anti-HIV activity of pyrimido[1,2-c][1,3]benzothiazin-6-imines and related tricyclic heterocycles. | Organic & biomolecular chemistry 20120907 |
| PD 404,182 is a virocidal small molecule that disrupts hepatitis C virus and human immunodeficiency virus. | Antimicrobial agents and chemotherapy 20120201 |
| A cell protection screen reveals potent inhibitors of multiple stages of the hepatitis C virus life cycle. | Proceedings of the National Academy of Sciences of the United States of America 20100223 |
| Quantitative high-throughput screening identifies inhibitors of anthrax-induced cell death. | Bioorganic & medicinal chemistry 20090715 |
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