Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COC1(CCOC1)c1nc(ccc1)c1cn(C)c2cnc(NC(N)=O)cc21 |
InChI | InChI | 1.06 | InChI=1S/C19H21N5O3/c1-24-10-13(12-8-17(23-18(20)25)21-9-15(12)24)14-4-3-5-16(22-14)19(26-2)6-7-27-11-19/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,23,25)/t19-/m0/s1 |
InChIKey | InChI | 1.06 | LBFKCADAEOIHNK-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@]1(CCOC1)c2cccc(n2)c3cn(C)c4cnc(NC(N)=O)cc34 |
SMILES | CACTVS | 3.385 | CO[C]1(CCOC1)c2cccc(n2)c3cn(C)c4cnc(NC(N)=O)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cnc(c2)NC(=O)N)c3cccc(n3)[C@@]4(CCOC4)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cnc(c2)NC(=O)N)c3cccc(n3)C4(CCOC4)OC |