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Home > Indoles and Oxindole > 21943-52-2
21943-52-2 | 1',3'-dimethyl-7',9'-dihydrospiro[indole-3,8'-purine]-2,2',6'(1h,1'h,3'h)-trione
CAS No: 21943-52-2 Catalog No: AG006YGG MDL No:
Product Description
Catalog Number:
AG006YGG
Chemical Name:
1',3'-dimethyl-7',9'-dihydrospiro[indole-3,8'-purine]-2,2',6'(1h,1'h,3'h)-trione
CAS Number:
21943-52-2
Molecular Formula:
C14H13N5O3
Molecular Weight:
299.2847
IUPAC Name:
1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione
InChI:
InChI=1S/C14H13N5O3/c1-18-10-9(11(20)19(2)13(18)22)16-14(17-10)7-5-3-4-6-8(7)15-12(14)21/h3-6,16-17H,1-2H3,(H,15,21)
InChI Key:
GWLRDSXEAJOUHI-UHFFFAOYSA-N
SMILES:
O=c1c2NC3(Nc2n(c(=O)n1C)C)C(=O)Nc1c3cccc1
NSC Number:
117197
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.29g/mol
Monoisotopic Mass:
299.102g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
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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