Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C |
InChI | InChI | 1.06 | InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3 |
InChIKey | InChI | 1.06 | BZTBYCRNDCQTCD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3nnc4ccccc34 |
SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3nnc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3 |