Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC |
InChI | InChI | 1.03 | InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26) |
InChIKey | InChI | 1.03 | VRPRBQAJAQCSCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(nc1)c2c([nH]c3cccnc23)c4ccnc(NC(C)=O)c4 |
SMILES | CACTVS | 3.385 | COc1ccc(nc1)c2c([nH]c3cccnc23)c4ccnc(NC(C)=O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC |