Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CNc1ccccc1)NCCN(C)c1ncnc2[NH]ccc21 |
InChI | InChI | 1.03 | InChI=1S/C17H20N6O/c1-23(17-14-7-8-19-16(14)21-12-22-17)10-9-18-15(24)11-20-13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,18,24)(H,19,21,22) |
InChIKey | InChI | 1.03 | IALQDQHYKWZILI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CCNC(=O)CNc1ccccc1)c2ncnc3[nH]ccc23 |
SMILES | CACTVS | 3.385 | CN(CCNC(=O)CNc1ccccc1)c2ncnc3[nH]ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCNC(=O)CNc1ccccc1)c2c3cc[nH]c3ncn2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCNC(=O)CNc1ccccc1)c2c3cc[nH]c3ncn2 |