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19068-66-7 | 1H-Pyrrolo[3,4-d]pyrimidine-2,4,7(3H)-trione, 5,6-dihydro-6-(phenylmethyl)-
CAS No: 19068-66-7 Catalog No: AG002EQF MDL No:MFCD23704679
Product Description
Catalog Number:
AG002EQF
Chemical Name:
1H-Pyrrolo[3,4-d]pyrimidine-2,4,7(3H)-trione, 5,6-dihydro-6-(phenylmethyl)-
CAS Number:
19068-66-7
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD23704679
IUPAC Name:
6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione
InChI:
InChI=1S/C13H11N3O3/c17-11-9-7-16(6-8-4-2-1-3-5-8)12(18)10(9)14-13(19)15-11/h1-5H,6-7H2,(H2,14,15,17,19)
InChI Key:
ILMDMEXCJKULNN-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)Cc2c1[nH]c(=O)[nH]c2=O
NSC Number:
79080
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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