Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C#Cc3nc(OC(c1ccccc1)CCN)cc2n(c(nc23)C=4NONC=4N)CC)(C)C |
InChI | InChI | 1.03 | InChI=1S/C24H29N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,29-30,32H,4,11,13,25-26H2,1-3H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | LYSNCXJOXXQEIU-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2cc(O[C@@H](CCN)c3ccccc3)nc(C#CC(C)(C)O)c2nc1C4=C(N)NON4 |
SMILES | CACTVS | 3.385 | CCn1c2cc(O[CH](CCN)c3ccccc3)nc(C#CC(C)(C)O)c2nc1C4=C(N)NON4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)OC(CCN)c4ccccc4 |