Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n3c(SCc1sccc1)nc(Nc2ccccc2C(C)C)n3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1ccccc1Nc2[nH]nc(SCc3sccc3)n2 |
SMILES | CACTVS | 3.341 | CC(C)c1ccccc1Nc2[nH]nc(SCc3sccc3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3 |
InChI | InChI | 1.03 | InChI=1S/C16H18N4S2/c1-11(2)13-7-3-4-8-14(13)17-15-18-16(20-19-15)22-10-12-6-5-9-21-12/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20) |
InChIKey | InChI | 1.03 | QMNSHLAPQLBIGP-UHFFFAOYSA-N |