Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC2(Cc1c3n(nc1CC2)c(ccc3O)C)C)c5ccc(n4cnnc4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C22H22N6O2/c1-14-3-8-19(29)20-17-11-22(2,10-9-18(17)26-28(14)20)25-21(30)15-4-6-16(7-5-15)27-12-23-24-13-27/h3-8,12-13,29H,9-11H2,1-2H3,(H,25,30)/t22-/m1/s1 |
InChIKey | InChI | 1.03 | GHULVZIKWFGNRE-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c2n1nc3CC[C@](C)(Cc23)NC(=O)c4ccc(cc4)n5cnnc5 |
SMILES | CACTVS | 3.385 | Cc1ccc(O)c2n1nc3CC[C](C)(Cc23)NC(=O)c4ccc(cc4)n5cnnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c2n1nc3c2CC(CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O |