Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3Cl)c2nc1 |
InChI | InChI | 1.06 | InChI=1S/C17H19ClN6S/c1-17(19)6-8-24(9-7-17)13-10-20-14-15(21-13)22-23-16(14)25-12-5-3-2-4-11(12)18/h2-5,10H,6-9,19H2,1H3,(H,21,22,23) |
InChIKey | InChI | 1.06 | UVMSWNKXHCSARG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl)n2 |
SMILES | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N |