| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1(CCCN1)c2[nH]c3c(cccc3C(N)=O)n2 |
| SMILES | CACTVS | 3.341 | C[C]1(CCCN1)c2[nH]c3c(cccc3C(N)=O)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | JNAHVYVRKWKWKQ-ZDUSSCGKSA-N |
