Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(cc1)C2CCCN2C(c3sc4n(n3)c(C)nc4)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H15ClN4OS/c1-10-18-9-14-21(10)19-15(23-14)16(22)20-8-2-3-13(20)11-4-6-12(17)7-5-11/h4-7,9,13H,2-3,8H2,1H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | SAVNWXMDAMFANR-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc2sc(nn12)C(=O)N3CCC[C@H]3c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | Cc1ncc2sc(nn12)C(=O)N3CCC[CH]3c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ncc2n1nc(s2)C(=O)N3CCCC3c4ccc(cc4)Cl |