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99967-86-9 | 2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CAS No: 99967-86-9 Catalog No: AG018S6O MDL No:MFCD09041752
Product Description
Catalog Number:
AG018S6O
Chemical Name:
2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CAS Number:
99967-86-9
Molecular Formula:
C9H10N4OS
Molecular Weight:
222.2669
MDL Number:
MFCD09041752
IUPAC Name:
2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C9H10N4OS/c14-8-6-7(10-5-11-8)12-9(15-6)13-3-1-2-4-13/h5H,1-4H2,(H,10,11,14)
InChI Key:
RZTQBKFTKCSRLE-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1sc(n2)N1CCCC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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