Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccc(c(c2c(cc(c1nc(ncc1)N)n2)C(=O)N)c3)C |
InChI | InChI | 1.03 | InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)6-10(8)14-11(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22) |
InChIKey | InChI | 1.03 | DQDASFFHMDSYAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cl)cc1c2[nH]c(cc2C(N)=O)c3ccnc(N)n3 |
SMILES | CACTVS | 3.385 | Cc1ccc(Cl)cc1c2[nH]c(cc2C(N)=O)c3ccnc(N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl |