種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)N1CCC1 |
InChI | InChI | 1.03 | InChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26) |
InChIKey | InChI | 1.03 | RDRUHVXSVRSDJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4ccccc4n3C |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4ccccc4n3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4CCC4 |