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119584-80-4 | 2,4-Quinazolinediamine, 5-(methylthio)-
CAS No: 119584-80-4 Catalog No: AG000IZJ MDL No:MFCD24623576
Product Description
Catalog Number:
AG000IZJ
Chemical Name:
2,4-Quinazolinediamine, 5-(methylthio)-
CAS Number:
119584-80-4
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD24623576
IUPAC Name:
5-methylsulfanylquinazoline-2,4-diamine
InChI:
InChI=1S/C9H10N4S/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3,(H4,10,11,12,13)
InChI Key:
YCMSYAILAVGTLT-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1c(N)nc(n2)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structure-activity and structure-selectivity studies on diaminoquinazolines and other inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase. | Antimicrobial agents and chemotherapy 19950101 |
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