Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cccnc2NCc1ccncc1)Nc3ccc4c(c3)NCC4(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12 |
SMILES | CACTVS | 3.341 | CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28) |
InChIKey | InChI | 1.03 | RAHBGWKEPAQNFF-UHFFFAOYSA-N |