Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C |
InChI | InChI | 1.03 | InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25) |
InChIKey | InChI | 1.03 | QMLWVSKDYLAYRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cscn4)c(CN)c3 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4cscn4)c(CN)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N |