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921929-84-2

921929-84-2 | 9H-Purine, 9-(2,3-dihydro-5H-4,1-benzoxathiepin-3-yl)-6-methoxy-

CAS No: 921929-84-2 Catalog No: AG006FX7 MDL No:

Product Description

Catalog Number:
AG006FX7
Chemical Name:
9H-Purine, 9-(2,3-dihydro-5H-4,1-benzoxathiepin-3-yl)-6-methoxy-
CAS Number:
921929-84-2
Molecular Formula:
C15H14N4O2S
Molecular Weight:
314.3623
IUPAC Name:
9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxypurine
InChI:
InChI=1S/C15H14N4O2S/c1-20-15-13-14(16-8-17-15)19(9-18-13)12-7-22-11-5-3-2-4-10(11)6-21-12/h2-5,8-9,12H,6-7H2,1H3
InChI Key:
PSKLWIOBMSVIHZ-UHFFFAOYSA-N
SMILES:
COc1ncnc2c1ncn2C1CSc2c(CO1)cccc2

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.084g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.363g/mol
Monoisotopic Mass:
314.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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