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871266-92-1 | Thiazolo[5,4-d]pyrimidine-2,7-diamine,N2,N7-diphenyl-
CAS No: 871266-92-1 Catalog No: AG004OTM MDL No:
Product Description
Catalog Number:
AG004OTM
Chemical Name:
Thiazolo[5,4-d]pyrimidine-2,7-diamine,N2,N7-diphenyl-
CAS Number:
871266-92-1
Molecular Formula:
C17H13N5S
Molecular Weight:
319.3836
IUPAC Name:
2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
InChI:
InChI=1S/C17H13N5S/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)23-17(22-14)21-13-9-5-2-6-10-13/h1-11H,(H,21,22)(H,18,19,20)
InChI Key:
ZTHKYQVIGVTAJB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1nc2c(s1)ncnc2Nc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.386g/mol
Monoisotopic Mass:
319.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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