Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC(CC3)CN)cc5c4cccn5 |
InChI | InChI | 1.03 | InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30) |
InChIKey | InChI | 1.03 | BFBOXYLGKAPSFY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cccnc45 |
SMILES | CACTVS | 3.385 | NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cccnc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5 |