種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C |
InChI | InChI | 1.03 | InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1 |
InChIKey | InChI | 1.03 | MPDQZYFYTXUHCN-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(C[C@@H](O)CN3CCOCC3)c2C1=O |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(C[CH](O)CN3CCOCC3)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CC(CN3CCOCC3)O)C(=O)N(C1=O)C |