Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNC(N3C(Cc2cc1OCOc1cc2C(=N3)c4cc(Br)c(cc4)N)C)=O |
InChI | InChI | 1.03 | InChI=1S/C19H19BrN4O3/c1-10-5-12-7-16-17(27-9-26-16)8-13(12)18(23-24(10)19(25)22-2)11-3-4-15(21)14(20)6-11/h3-4,6-8,10H,5,9,21H2,1-2H3,(H,22,25)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | OZUDBWJNUXUTGY-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)N1N=C(c2ccc(N)c(Br)c2)c3cc4OCOc4cc3C[C@H]1C |
SMILES | CACTVS | 3.385 | CNC(=O)N1N=C(c2ccc(N)c(Br)c2)c3cc4OCOc4cc3C[CH]1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3 |