Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | CBDFYHHMMDZBDU-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc2Cc3ccccc3[C@@H](Nc2n1)c4ccccc4 |
SMILES | CACTVS | 3.385 | Nc1ncc2Cc3ccccc3[CH](Nc2n1)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2c3ccccc3Cc4cnc(nc4N2)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2c3ccccc3Cc4cnc(nc4N2)N |