PDB CCD ID: | AX1 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C14 H9 N5 O3 |
InChI: | InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20) |
InChIKey: | LODZVZHIOMSXPI-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 | CACTVS 3.341 | NC1=Nc2[nH]c(c3ccc4OCOc4c3)c(C#N)c2C(=O)N1 | ACDLabs 10.04 | N#Cc4c1C(=O)NC(=Nc1nc4c2ccc3OCOc3c2)N |
|
Name: | 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
ChEMBL: | CHEMBL568414 |
ZINC: | ZINC000045260387 |