Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1 |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26) |
InChIKey | InChI | 1.03 | YWUHOQHUHVSXGB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4 |