Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26) |
InChIKey | InChI | 1.03 | TYMCCWJEDPSKIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc4sc5ccccc5n4 |
SMILES | CACTVS | 3.385 | COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc4sc5ccccc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5 |