Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(cc2nsc(c12)N3CCOCC3)c4ccc(N)c(OC)c4 |
InChI | InChI | 1.03 | InChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3 |
InChIKey | InChI | 1.03 | AAUCXXCMBFZYRT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1N)c2cnc3c(snc3c2)N4CCOCC4 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1N)c2cnc3c(snc3c2)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2 |