| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ncc(nc1c2cc3c(n2)cccc3)NCC(C)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | NYYIGJQYEWZYJP-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)CNc1cnc(C(N)=O)c(n1)c2[nH]c3ccccc3c2 |
| SMILES | CACTVS | 3.385 | C[CH](N)CNc1cnc(C(N)=O)c(n1)c2[nH]c3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N |
