Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C5c1c(nc4n1cc(c2c(ccc3c2cnn3)C)n4CCCC)N(C(=O)N5)C |
InChI | InChI | 1.03 | InChI=1S/C20H21N7O2/c1-4-5-8-26-14(15-11(2)6-7-13-12(15)9-21-24-13)10-27-16-17(22-19(26)27)25(3)20(29)23-18(16)28/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24)(H,23,28,29) |
InChIKey | InChI | 1.03 | DQROUBDXZUEWBE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4c(C)ccc5[nH]ncc45 |
SMILES | CACTVS | 3.370 | CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4c(C)ccc5[nH]ncc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C |