Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nccc(c1)c2nc(OC)c(cn2)C(=O)N)C3CC3 |
InChI | InChI | 1.03 | InChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22) |
InChIKey | InChI | 1.03 | FGIRBKPXCMZGGV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 |
SMILES | CACTVS | 3.385 | COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N |