Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H20N4OS/c25-15-5-6-17-16(11-15)14(12-21-17)13-23-7-9-24(10-8-23)20-22-18-3-1-2-4-19(18)26-20/h1-6,11-12,21,25H,7-10,13H2 |
InChIKey | InChI | 1.03 | RXEWNCAVTJMLIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1 |
SMILES | CACTVS | 3.385 | Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O |