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Home > Other Building Blocks > 139927-85-8
139927-85-8 | 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-(phenylmethyl)-
CAS No: 139927-85-8 Catalog No: AG001BT2 MDL No:MFCD03982636
Product Description
Catalog Number:
AG001BT2
Chemical Name:
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-(phenylmethyl)-
CAS Number:
139927-85-8
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
MDL Number:
MFCD03982636
IUPAC Name:
3-benzyl-7-ethylpurine-2,6-dione
InChI:
InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20)
InChI Key:
XEPOHOPPWDSWQR-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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