Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1cc(nc1CCN2)c3nc(ncc3OC)c4cc5ccccc5nc4 |
InChI | InChI | 1.03 | InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27) |
InChIKey | InChI | 1.03 | CIUATZJWGJGLPW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cnc(nc1c2[nH]c3CCNC(=O)c3c2)c4cnc5ccccc5c4 |
SMILES | CACTVS | 3.370 | COc1cnc(nc1c2[nH]c3CCNC(=O)c3c2)c4cnc5ccccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4 |