種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c31ccc(cc1n4c(c2c(cccc2)Cl)nnc4c(n3)C)C(NC)=O |
InChI | InChI | 1.03 | InChI=1S/C18H14ClN5O/c1-10-16-22-23-17(12-5-3-4-6-13(12)19)24(16)15-9-11(18(25)20-2)7-8-14(15)21-10/h3-9H,1-2H3,(H,20,25) |
InChIKey | InChI | 1.03 | GUTVZXOGCBCORY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4ccccc4Cl |
SMILES | CACTVS | 3.385 | CNC(=O)c1ccc2nc(C)c3nnc(n3c2c1)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl |