Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O |
InChI | InChI | 1.03 | InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1 |
InChIKey | InChI | 1.03 | VMAAUIZLAZYALS-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnc(n1)[C@H](N2CCN(CC2)C(=O)c3cc(ccn3)c4oc5ccc(NC(C)=O)cc5n4)c6ccccc6 |
SMILES | CACTVS | 3.385 | Cn1nnc(n1)[CH](N2CCN(CC2)C(=O)c3cc(ccn3)c4oc5ccc(NC(C)=O)cc5n4)c6ccccc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C |