Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc1ccn(c1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H20N6O2/c1-13(2)23-16-4-3-15-9-22-26(17(15)8-16)19-11-21-10-18(24-19)25-6-5-14(12-25)7-20(27)28/h3-6,8-13,23H,7H2,1-2H3,(H,27,28) |
InChIKey | InChI | 1.03 | BBYRUZKRFAIQSR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)Nc1ccc2cnn(c3cncc(n3)n4ccc(CC(O)=O)c4)c2c1 |
SMILES | CACTVS | 3.370 | CC(C)Nc1ccc2cnn(c3cncc(n3)n4ccc(CC(O)=O)c4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O |