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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20N8O4
Molecular Weight 400.3919
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-(PROPANE-1,3-DIYL)BIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

SMILES

CN1C=NC2=C1C(=O)N(CCCN3C(=O)N(C)C4=C(N(C)C=N4)C3=O)C(=O)N2C

InChI

InChIKey=KEPIKAFUZRKZMT-UHFFFAOYSA-N
InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C17H20N8O4
Molecular Weight 400.3919
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.2 µM [IC50]
8.3 µM [IC50]
3.4 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
WT3HN8U2ZZ
Record Status Validated (UNII)
Record Version