Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1 |
InChI | InChI | 1.06 | InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | MKCYPWYURWOKST-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@@H](Cn2c3ncnc(N)c3c(c4cnc5ccccc5c4)c12)NC(=O)C=C |
SMILES | CACTVS | 3.385 | CC1=C[CH](Cn2c3ncnc(N)c3c(c4cnc5ccccc5c4)c12)NC(=O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C[C@@H](Cn2c1c(c3c2ncnc3N)c4cc5ccccc5nc4)NC(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(Cn2c1c(c3c2ncnc3N)c4cc5ccccc5nc4)NC(=O)C=C |